(5S,6S)-6'-methoxy-6-[(Z)-prop-1-enyl]spiro[1,7-diazatricyclo[7.3.0.03,7]dodecane-5,3'-1H-indole]-2,2',8-trione

C21H23N3O4 — CID 139235618

IUPAC(5S,6S)-6'-methoxy-6-[(Z)-prop-1-enyl]spiro[1,7-diazatricyclo[7.3.0.03,7]dodecane-5,3'-1H-indole]-2,2',8-trione
SMILESC/C=C\[C@@H]1N2C(=O)C3CCCN3C(=O)C2C[C@@]12C(=O)Nc1cc(OC)ccc12
InChIInChI=1S/C21H23N3O4/c1-3-5-17-21(13-8-7-12(28-2)10-14(13)22-20(21)27)11-16-18(25)23-9-4-6-15(23)19(26)24(16)17/h3,5,7-8,10,15-17H,4,6,9,11H2,1-2H3,(H,22,27)/b5-3-/t15?,16?,17-,21-/m0/s1
InChIKeyQDPHPUDLTHVVHV-YKSHYAJWSA-N
MW381.43 g/mol
LogP1.44
Rot. Bonds2

About (5S,6S)-6'-methoxy-6-[(Z)-prop-1-enyl]spiro[1,7-diazatricyclo[7.3.0.03,7]dodecane-5,3'-1H-indole]-2,2',8-trione

(5S,6S)-6'-methoxy-6-[(Z)-prop-1-enyl]spiro[1,7-diazatricyclo[7.3.0.03,7]dodecane-5,3'-1H-indole]-2,2',8-trione (PubChem CID 139235618) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is (5S,6S)-6'-methoxy-6-[(Z)-prop-1-enyl]spiro[1,7-diazatricyclo[7.3.0.03,7]dodecane-5,3'-1H-indole]-2,2',8-trione.

Molecular Properties

Compound Name(5S,6S)-6'-methoxy-6-[(Z)-prop-1-enyl]spiro[1,7-diazatricyclo[7.3.0.03,7]dodecane-5,3'-1H-indole]-2,2',8-trione
PubChem CID139235618
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name(5S,6S)-6'-methoxy-6-[(Z)-prop-1-enyl]spiro[1,7-diazatricyclo[7.3.0.03,7]dodecane-5,3'-1H-indole]-2,2',8-trione
SMILESC/C=C\[C@@H]1N2C(=O)C3CCCN3C(=O)C2C[C@@]12C(=O)Nc1cc(OC)ccc12
InChIInChI=1S/C21H23N3O4/c1-3-5-17-21(13-8-7-12(28-2)10-14(13)22-20(21)27)11-16-18(25)23-9-4-6-15(23)19(26)24(16)17/h3,5,7-8,10,15-17H,4,6,9,11H2,1-2H3,(H,22,27)/b5-3-/t15?,16?,17-,21-/m0/s1
InChIKeyQDPHPUDLTHVVHV-YKSHYAJWSA-N
XLogP1.44
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5S,6S)-6'-methoxy-6-[(Z)-prop-1-enyl]spiro[1,7-diazatricyclo[7.3.0.03,7]dodecane-5,3'-1H-indole]-2,2',8-trione with MolForge

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Related Compounds

2'-amino-6-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 84721821
(3S,5S,6S,9S)-6-propylspiro[1,7-diazatricyclo[7.3.0.03,7]dodecane-5,3'-1H-indole]-2,2',8-trione
CID 122372169
(5R,6S,9S)-6'-methoxy-6-(2-methylprop-1-enyl)spiro[1,7-diazatricyclo[7.3.0.03,7]dodec-3-ene-5,3'-1H-indole]-2,2',8-trione
CID 139235739
(3aS)-7-methoxy-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one
CID 135040177
tert-butyl N-[2-[(3S,5S,6S,9S)-5-ethenyl-6-(2-hydroxy-2-methylpropyl)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-5-yl]-5-methoxyphenyl]carbamate
CID 134948193
(1S,12S,15S)-7-methoxy-10-(3-methylbut-2-enyl)-12-(2-methylprop-1-enyl)-13,19-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4(9),5,7-tetraene-14,20-dione
CID 59918100
(3R,9R)-11-[(4-methoxyphenyl)methyl]-1,7,11-triazatricyclo[7.4.0.03,7]tridecane-2,8-dione
CID 126462027
(3S,9R)-11-[(3-methoxyphenyl)methyl]-1,7,11-triazatricyclo[7.4.0.03,7]tridecane-2,8-dione
CID 126461245
(5S,6S,9S)-6'-methoxy-1'-methyl-6-(2-methylprop-1-enyl)spiro[1,7-diazatricyclo[7.3.0.03,7]dodec-3-ene-5,3'-indole]-2,2',8-trione
CID 46885578
tert-butyl (3R)-6-methoxy-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 125183683
(3S)-3'-cyclopropyl-6-methoxyspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 94572005
2-[bis(4-methoxyphenyl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 119033787

Frequently Asked Questions

What is the IUPAC name of (5S,6S)-6'-methoxy-6-[(Z)-prop-1-enyl]spiro[1,7-diazatricyclo[7.3.0.03,7]dodecane-5,3'-1H-indole]-2,2',8-trione?
The IUPAC name of (5S,6S)-6'-methoxy-6-[(Z)-prop-1-enyl]spiro[1,7-diazatricyclo[7.3.0.03,7]dodecane-5,3'-1H-indole]-2,2',8-trione (CID 139235618) is (5S,6S)-6'-methoxy-6-[(Z)-prop-1-enyl]spiro[1,7-diazatricyclo[7.3.0.03,7]dodecane-5,3'-1H-indole]-2,2',8-trione.
What is the SMILES notation for (5S,6S)-6'-methoxy-6-[(Z)-prop-1-enyl]spiro[1,7-diazatricyclo[7.3.0.03,7]dodecane-5,3'-1H-indole]-2,2',8-trione?
The canonical SMILES for (5S,6S)-6'-methoxy-6-[(Z)-prop-1-enyl]spiro[1,7-diazatricyclo[7.3.0.03,7]dodecane-5,3'-1H-indole]-2,2',8-trione is C/C=C\[C@@H]1N2C(=O)C3CCCN3C(=O)C2C[C@@]12C(=O)Nc1cc(OC)ccc12.
What is the InChIKey of (5S,6S)-6'-methoxy-6-[(Z)-prop-1-enyl]spiro[1,7-diazatricyclo[7.3.0.03,7]dodecane-5,3'-1H-indole]-2,2',8-trione?
The InChIKey is QDPHPUDLTHVVHV-YKSHYAJWSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-3-5-17-21(13-8-7-12(28-2)10-14(13)22-20(21)27)11-16-18(25)23-9-4-6-15(23)19(26)24(16)17/h3,5,7-8,10,15-17H,4,6,9,11H2,1-2H3,(H,22,27)/b5-3-/t15?,16?,17-,21-/m0/s1.
What are the key properties of (5S,6S)-6'-methoxy-6-[(Z)-prop-1-enyl]spiro[1,7-diazatricyclo[7.3.0.03,7]dodecane-5,3'-1H-indole]-2,2',8-trione?
(5S,6S)-6'-methoxy-6-[(Z)-prop-1-enyl]spiro[1,7-diazatricyclo[7.3.0.03,7]dodecane-5,3'-1H-indole]-2,2',8-trione has a molecular weight of 381.43 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-6'-methoxy-6-[(Z)-prop-1-enyl]spiro[1,7-diazatricyclo[7.3.0.03,7]dodecane-5,3'-1H-indole]-2,2',8-trione is sourced from PubChem (CID 139235618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).