(3aR)-1-chlorospiro[3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphole-3,1'-cyclopentane];N-[1-[(2R,5R)-4-[(1S,3aR)-spiro[3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphole-3,1'-cyclopentane]-1-yl]oxy-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;N,N-diethylethanamine;N-[1-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;methane;1-[(2R)-pyrrolidin-2-yl]cyclopentan-1-ol

C63H111ClN10O11P2 — CID 167573752

About (3aR)-1-chlorospiro[3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphole-3,1'-cyclopentane];N-[1-[(2R,5R)-4-[(1S,3aR)-spiro[3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphole-3,1'-cyclopentane]-1-yl]oxy-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;N,N-diethylethanamine;N-[1-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;methane;1-[(2R)-pyrrolidin-2-yl]cyclopentan-1-ol

(3aR)-1-chlorospiro[3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphole-3,1'-cyclopentane];N-[1-[(2R,5R)-4-[(1S,3aR)-spiro[3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphole-3,1'-cyclopentane]-1-yl]oxy-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;N,N-diethylethanamine;N-[1-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;methane;1-[(2R)-pyrrolidin-2-yl]cyclopentan-1-ol (PubChem CID 167573752) has the molecular formula C63H111ClN10O11P2 and a molecular weight of 1282.04 g/mol. Its IUPAC name is (3aR)-1-chlorospiro[3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphole-3,1'-cyclopentane];N-[1-[(2R,5R)-4-[(1S,3aR)-spiro[3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphole-3,1'-cyclopentane]-1-yl]oxy-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;N,N-diethylethanamine;N-[1-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;methane;1-[(2R)-pyrrolidin-2-yl]cyclopentan-1-ol.

Molecular Properties

• Compound Name: (3aR)-1-chlorospiro[3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphole-3,1'-cyclopentane];N-[1-[(2R,5R)-4-[(1S,3aR)-spiro[3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphole-3,1'-cyclopentane]-1-yl]oxy-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;N,N-diethylethanamine;N-[1-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;methane;1-[(2R)-pyrrolidin-2-yl]cyclopentan-1-ol
• PubChem CID: 167573752
• Molecular Formula: C63H111ClN10O11P2
• Molecular Weight: 1282.04 g/mol
• Exact Mass: 1280.76
• IUPAC Name: (3aR)-1-chlorospiro[3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphole-3,1'-cyclopentane];N-[1-[(2R,5R)-4-[(1S,3aR)-spiro[3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphole-3,1'-cyclopentane]-1-yl]oxy-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;N,N-diethylethanamine;N-[1-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;methane;1-[(2R)-pyrrolidin-2-yl]cyclopentan-1-ol
• SMILES: C.C.CCN(CC)CC.CC[C@H]1O[C@@H](n2ccc(NC(=O)C(C)C)nc2=O)CC1O.CC[C@H]1O[C@@H](n2ccc(NC(=O)C(C)C)nc2=O)CC1O[P@@]1OC2(CCCC2)[C@H]2CCCN21.ClP1OC2(CCCC2)[C@H]2CCCN21.OC1([C@H]2CCCN2)CCCC1
• InChI: InChI=1S/C23H35N4O5P.C14H21N3O4.C9H15ClNOP.C9H17NO.C6H15N.2CH4/c1-4-16-17(31-33-27-12-7-8-18(27)23(32-33)10-5-6-11-23)14-20(30-16)26-13-9-19(25-22(26)29)24-21(28)15(2)3;1-4-10-9(18)7-12(21-10)17-6-5-11(16-14(17)20)15-13(19)8(2)3;10-13-11-7-3-4-8(11)9(12-13)5-1-2-6-9;11-9(5-1-2-6-9)8-4-3-7-10-8;1-4-7(5-2)6-3;;/h9,13,15-18,20H,4-8,10-12,14H2,1-3H3,(H,24,25,28,29);5-6,8-10,12,18H,4,7H2,1-3H3,(H,15,16,19,20);8H,1-7H2;8,10-11H,1-7H2;4-6H2,1-3H3;2*1H4/t16-,17?,18-,20-,33+;9?,10-,12-;8-,13?;8-;;;/m1111.../s1
• InChIKey: GGGDAOFHHKJTKD-PASYAYONSA-N
• XLogP: 11.77
• TPSA: 236.34 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 14
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1282.04
LogP ≤ 5	11.77
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3aR)-1-chlorospiro[3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphole-3,1'-cyclopentane];N-[1-[(2R,5R)-4-[(1S,3aR)-spiro[3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphole-3,1'-cyclopentane]-1-yl]oxy-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;N,N-diethylethanamine;N-[1-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;methane;1-[(2R)-pyrrolidin-2-yl]cyclopentan-1-ol?

The IUPAC name of (3aR)-1-chlorospiro[3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphole-3,1'-cyclopentane];N-[1-[(2R,5R)-4-[(1S,3aR)-spiro[3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphole-3,1'-cyclopentane]-1-yl]oxy-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;N,N-diethylethanamine;N-[1-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;methane;1-[(2R)-pyrrolidin-2-yl]cyclopentan-1-ol (CID 167573752) is (3aR)-1-chlorospiro[3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphole-3,1'-cyclopentane];N-[1-[(2R,5R)-4-[(1S,3aR)-spiro[3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphole-3,1'-cyclopentane]-1-yl]oxy-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;N,N-diethylethanamine;N-[1-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;methane;1-[(2R)-pyrrolidin-2-yl]cyclopentan-1-ol.

What is the SMILES notation for (3aR)-1-chlorospiro[3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphole-3,1'-cyclopentane];N-[1-[(2R,5R)-4-[(1S,3aR)-spiro[3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphole-3,1'-cyclopentane]-1-yl]oxy-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;N,N-diethylethanamine;N-[1-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;methane;1-[(2R)-pyrrolidin-2-yl]cyclopentan-1-ol?

The canonical SMILES for (3aR)-1-chlorospiro[3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphole-3,1'-cyclopentane];N-[1-[(2R,5R)-4-[(1S,3aR)-spiro[3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphole-3,1'-cyclopentane]-1-yl]oxy-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;N,N-diethylethanamine;N-[1-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;methane;1-[(2R)-pyrrolidin-2-yl]cyclopentan-1-ol is C.C.CCN(CC)CC.CC[C@H]1O[C@@H](n2ccc(NC(=O)C(C)C)nc2=O)CC1O.CC[C@H]1O[C@@H](n2ccc(NC(=O)C(C)C)nc2=O)CC1O[P@@]1OC2(CCCC2)[C@H]2CCCN21.ClP1OC2(CCCC2)[C@H]2CCCN21.OC1([C@H]2CCCN2)CCCC1.

What is the InChIKey of (3aR)-1-chlorospiro[3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphole-3,1'-cyclopentane];N-[1-[(2R,5R)-4-[(1S,3aR)-spiro[3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphole-3,1'-cyclopentane]-1-yl]oxy-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;N,N-diethylethanamine;N-[1-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;methane;1-[(2R)-pyrrolidin-2-yl]cyclopentan-1-ol?

The InChIKey is GGGDAOFHHKJTKD-PASYAYONSA-N. The full InChI is InChI=1S/C23H35N4O5P.C14H21N3O4.C9H15ClNOP.C9H17NO.C6H15N.2CH4/c1-4-16-17(31-33-27-12-7-8-18(27)23(32-33)10-5-6-11-23)14-20(30-16)26-13-9-19(25-22(26)29)24-21(28)15(2)3;1-4-10-9(18)7-12(21-10)17-6-5-11(16-14(17)20)15-13(19)8(2)3;10-13-11-7-3-4-8(11)9(12-13)5-1-2-6-9;11-9(5-1-2-6-9)8-4-3-7-10-8;1-4-7(5-2)6-3;;/h9,13,15-18,20H,4-8,10-12,14H2,1-3H3,(H,24,25,28,29);5-6,8-10,12,18H,4,7H2,1-3H3,(H,15,16,19,20);8H,1-7H2;8,10-11H,1-7H2;4-6H2,1-3H3;2*1H4/t16-,17?,18-,20-,33+;9?,10-,12-;8-,13?;8-;;;/m1111.../s1.

What are the key properties of (3aR)-1-chlorospiro[3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphole-3,1'-cyclopentane];N-[1-[(2R,5R)-4-[(1S,3aR)-spiro[3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphole-3,1'-cyclopentane]-1-yl]oxy-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;N,N-diethylethanamine;N-[1-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;methane;1-[(2R)-pyrrolidin-2-yl]cyclopentan-1-ol?

(3aR)-1-chlorospiro[3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphole-3,1'-cyclopentane];N-[1-[(2R,5R)-4-[(1S,3aR)-spiro[3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphole-3,1'-cyclopentane]-1-yl]oxy-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;N,N-diethylethanamine;N-[1-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;methane;1-[(2R)-pyrrolidin-2-yl]cyclopentan-1-ol has a molecular weight of 1282.04 g/mol, XLogP of 11.77, 14 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (3aR)-1-chlorospiro[3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphole-3,1'-cyclopentane];N-[1-[(2R,5R)-4-[(1S,3aR)-spiro[3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaphosphole-3,1'-cyclopentane]-1-yl]oxy-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;N,N-diethylethanamine;N-[1-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;methane;1-[(2R)-pyrrolidin-2-yl]cyclopentan-1-ol is sourced from PubChem (CID 167573752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).