(9R,11aR)-9-ethenyl-3,4,8,9-tetrahydropyrido[2,1-i]indol-6-one

C14H15NO — CID 134946641

IUPAC(9R,11aR)-9-ethenyl-3,4,8,9-tetrahydropyrido[2,1-i]indol-6-one
SMILESC=C[C@@H]1C=C[C@@]23C=CCCN2C(=O)C=C3C1
InChIInChI=1S/C14H15NO/c1-2-11-5-7-14-6-3-4-8-15(14)13(16)10-12(14)9-11/h2-3,5-7,10-11H,1,4,8-9H2/t11-,14-/m1/s1
InChIKeyRKAXMJUHVGOFCJ-BXUZGUMPSA-N
MW213.28 g/mol
LogP2.22
Rot. Bonds1

About (9R,11aR)-9-ethenyl-3,4,8,9-tetrahydropyrido[2,1-i]indol-6-one

(9R,11aR)-9-ethenyl-3,4,8,9-tetrahydropyrido[2,1-i]indol-6-one (PubChem CID 134946641) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is (9R,11aR)-9-ethenyl-3,4,8,9-tetrahydropyrido[2,1-i]indol-6-one.

Molecular Properties

Compound Name(9R,11aR)-9-ethenyl-3,4,8,9-tetrahydropyrido[2,1-i]indol-6-one
PubChem CID134946641
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name(9R,11aR)-9-ethenyl-3,4,8,9-tetrahydropyrido[2,1-i]indol-6-one
SMILESC=C[C@@H]1C=C[C@@]23C=CCCN2C(=O)C=C3C1
InChIInChI=1S/C14H15NO/c1-2-11-5-7-14-6-3-4-8-15(14)13(16)10-12(14)9-11/h2-3,5-7,10-11H,1,4,8-9H2/t11-,14-/m1/s1
InChIKeyRKAXMJUHVGOFCJ-BXUZGUMPSA-N
XLogP2.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (9R,11aR)-9-ethenyl-3,4,8,9-tetrahydropyrido[2,1-i]indol-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,8a-Dimethyl-5,6,7,8-tetrahydroindolizin-3-one
CID 13331592
(8R,10aS)-8-ethenyl-10-(trifluoromethyl)-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one
CID 102343879
2-Methyl-2-azatricyclo[5.2.2.01,5]undeca-4,8,10-trien-3-one
CID 12773181
8a-Prop-2-enyl-5,8-dihydroindolizin-3-one
CID 44160089
(1R,4R)-4-ethenyl-9-azatricyclo[7.5.0.01,6]tetradeca-2,6,13-trien-8-one
CID 71492162
2-Prop-2-enyl-2-azatricyclo[5.2.2.01,5]undeca-4,8,10-trien-3-one
CID 102592894
(8R,10aS)-8-ethenyl-6-methyl-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one
CID 134946683
(8R,10aS)-8-ethenyl-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one
CID 134966114
(8R,10aS)-8-ethenyl-9,10-dimethyl-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one
CID 134966119
(7S,8R,10aS)-8-ethenyl-7-methyl-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one
CID 134966126
1-[(3aR)-2,3,3a,4,5,7a-hexahydroindol-1-yl]prop-2-en-1-one
CID 135045245
(9R,11aS)-9-ethenyl-2-methyl-3,4,8,9-tetrahydropyrido[2,1-i]indol-6-one
CID 179010525

Frequently Asked Questions

What is the IUPAC name of (9R,11aR)-9-ethenyl-3,4,8,9-tetrahydropyrido[2,1-i]indol-6-one?
The IUPAC name of (9R,11aR)-9-ethenyl-3,4,8,9-tetrahydropyrido[2,1-i]indol-6-one (CID 134946641) is (9R,11aR)-9-ethenyl-3,4,8,9-tetrahydropyrido[2,1-i]indol-6-one.
What is the SMILES notation for (9R,11aR)-9-ethenyl-3,4,8,9-tetrahydropyrido[2,1-i]indol-6-one?
The canonical SMILES for (9R,11aR)-9-ethenyl-3,4,8,9-tetrahydropyrido[2,1-i]indol-6-one is C=C[C@@H]1C=C[C@@]23C=CCCN2C(=O)C=C3C1.
What is the InChIKey of (9R,11aR)-9-ethenyl-3,4,8,9-tetrahydropyrido[2,1-i]indol-6-one?
The InChIKey is RKAXMJUHVGOFCJ-BXUZGUMPSA-N. The full InChI is InChI=1S/C14H15NO/c1-2-11-5-7-14-6-3-4-8-15(14)13(16)10-12(14)9-11/h2-3,5-7,10-11H,1,4,8-9H2/t11-,14-/m1/s1.
What are the key properties of (9R,11aR)-9-ethenyl-3,4,8,9-tetrahydropyrido[2,1-i]indol-6-one?
(9R,11aR)-9-ethenyl-3,4,8,9-tetrahydropyrido[2,1-i]indol-6-one has a molecular weight of 213.28 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9R,11aR)-9-ethenyl-3,4,8,9-tetrahydropyrido[2,1-i]indol-6-one is sourced from PubChem (CID 134946641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).