(3R,3aR)-3-methyl-1,3,3a,4,5,6-hexahydropyrrolo[1,2-c][1,3,2]oxazaphosphole

C6H12NOP — CID 134232910

IUPAC(3R,3aR)-3-methyl-1,3,3a,4,5,6-hexahydropyrrolo[1,2-c][1,3,2]oxazaphosphole
SMILESC[C@H]1OPN2CCC[C@H]12
InChIInChI=1S/C6H12NOP/c1-5-6-3-2-4-7(6)9-8-5/h5-6,9H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeyDPBMUNVRDUIFOL-PHDIDXHHSA-N
MW145.14 g/mol
LogP1.38
Rot. Bonds

About (3R,3aR)-3-methyl-1,3,3a,4,5,6-hexahydropyrrolo[1,2-c][1,3,2]oxazaphosphole

(3R,3aR)-3-methyl-1,3,3a,4,5,6-hexahydropyrrolo[1,2-c][1,3,2]oxazaphosphole (PubChem CID 134232910) has the molecular formula C6H12NOP and a molecular weight of 145.14 g/mol. Its IUPAC name is (3R,3aR)-3-methyl-1,3,3a,4,5,6-hexahydropyrrolo[1,2-c][1,3,2]oxazaphosphole.

Molecular Properties

Compound Name(3R,3aR)-3-methyl-1,3,3a,4,5,6-hexahydropyrrolo[1,2-c][1,3,2]oxazaphosphole
PubChem CID134232910
Molecular FormulaC6H12NOP
Molecular Weight145.14 g/mol
Exact Mass145.07
IUPAC Name(3R,3aR)-3-methyl-1,3,3a,4,5,6-hexahydropyrrolo[1,2-c][1,3,2]oxazaphosphole
SMILESC[C@H]1OPN2CCC[C@H]12
InChIInChI=1S/C6H12NOP/c1-5-6-3-2-4-7(6)9-8-5/h5-6,9H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeyDPBMUNVRDUIFOL-PHDIDXHHSA-N
XLogP1.38
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.14
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,3aR)-3-methyl-1,3,3a,4,5,6-hexahydropyrrolo[1,2-c][1,3,2]oxazaphosphole?
The IUPAC name of (3R,3aR)-3-methyl-1,3,3a,4,5,6-hexahydropyrrolo[1,2-c][1,3,2]oxazaphosphole (CID 134232910) is (3R,3aR)-3-methyl-1,3,3a,4,5,6-hexahydropyrrolo[1,2-c][1,3,2]oxazaphosphole.
What is the SMILES notation for (3R,3aR)-3-methyl-1,3,3a,4,5,6-hexahydropyrrolo[1,2-c][1,3,2]oxazaphosphole?
The canonical SMILES for (3R,3aR)-3-methyl-1,3,3a,4,5,6-hexahydropyrrolo[1,2-c][1,3,2]oxazaphosphole is C[C@H]1OPN2CCC[C@H]12.
What is the InChIKey of (3R,3aR)-3-methyl-1,3,3a,4,5,6-hexahydropyrrolo[1,2-c][1,3,2]oxazaphosphole?
The InChIKey is DPBMUNVRDUIFOL-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H12NOP/c1-5-6-3-2-4-7(6)9-8-5/h5-6,9H,2-4H2,1H3/t5-,6-/m1/s1.
What are the key properties of (3R,3aR)-3-methyl-1,3,3a,4,5,6-hexahydropyrrolo[1,2-c][1,3,2]oxazaphosphole?
(3R,3aR)-3-methyl-1,3,3a,4,5,6-hexahydropyrrolo[1,2-c][1,3,2]oxazaphosphole has a molecular weight of 145.14 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aR)-3-methyl-1,3,3a,4,5,6-hexahydropyrrolo[1,2-c][1,3,2]oxazaphosphole is sourced from PubChem (CID 134232910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).