1-[(1S)-1-methoxy-1,2,3,4,4a,9a-hexahydrocarbazol-9-yl]ethanone

C15H19NO2 — CID 154720240

IUPAC1-[(1S)-1-methoxy-1,2,3,4,4a,9a-hexahydrocarbazol-9-yl]ethanone
SMILESCO[C@H]1CCCC2c3ccccc3N(C(C)=O)C21
InChIInChI=1S/C15H19NO2/c1-10(17)16-13-8-4-3-6-11(13)12-7-5-9-14(18-2)15(12)16/h3-4,6,8,12,14-15H,5,7,9H2,1-2H3/t12?,14-,15?/m0/s1
InChIKeyXQMNACHJRSCBNQ-BLZCZZARSA-N
MW245.32 g/mol
LogP2.70
Rot. Bonds1

About 1-[(1S)-1-methoxy-1,2,3,4,4a,9a-hexahydrocarbazol-9-yl]ethanone

1-[(1S)-1-methoxy-1,2,3,4,4a,9a-hexahydrocarbazol-9-yl]ethanone (PubChem CID 154720240) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-[(1S)-1-methoxy-1,2,3,4,4a,9a-hexahydrocarbazol-9-yl]ethanone.

Molecular Properties

Compound Name1-[(1S)-1-methoxy-1,2,3,4,4a,9a-hexahydrocarbazol-9-yl]ethanone
PubChem CID154720240
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-[(1S)-1-methoxy-1,2,3,4,4a,9a-hexahydrocarbazol-9-yl]ethanone
SMILESCO[C@H]1CCCC2c3ccccc3N(C(C)=O)C21
InChIInChI=1S/C15H19NO2/c1-10(17)16-13-8-4-3-6-11(13)12-7-5-9-14(18-2)15(12)16/h3-4,6,8,12,14-15H,5,7,9H2,1-2H3/t12?,14-,15?/m0/s1
InChIKeyXQMNACHJRSCBNQ-BLZCZZARSA-N
XLogP2.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(1S)-1-methoxy-1,2,3,4,4a,9a-hexahydrocarbazol-9-yl]ethanone with MolForge

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Related Compounds

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1-(1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-5-yl)ethanone
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1-(2-hydroxy-3,4,4a,9a-tetrahydro-2H-pyrano[2,3-b]indol-9-yl)ethanone
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methyl 1a,6b-dihydro-1H-cyclopropa[b]indole-2-carboxylate
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1-acetyl-2-methyl-3,4-dihydro-2H-quinoline-4-carbaldehyde
CID 102567879
1-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 110709451
methyl (2R,3S)-1-acetyl-3-hydroxy-2,3-dihydroindole-2-carboxylate
CID 95562403
benzyl N-[(3R,4R)-1-acetyl-2-cyclobutyl-3-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
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2-(5-acetyl-6H-phenanthridin-6-yl)cyclopentan-1-one
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1-[(1aS,2S,7bS)-2-methyl-2,7b-dihydro-1aH-oxireno[2,3-c]quinolin-3-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-methoxy-1,2,3,4,4a,9a-hexahydrocarbazol-9-yl]ethanone?
The IUPAC name of 1-[(1S)-1-methoxy-1,2,3,4,4a,9a-hexahydrocarbazol-9-yl]ethanone (CID 154720240) is 1-[(1S)-1-methoxy-1,2,3,4,4a,9a-hexahydrocarbazol-9-yl]ethanone.
What is the SMILES notation for 1-[(1S)-1-methoxy-1,2,3,4,4a,9a-hexahydrocarbazol-9-yl]ethanone?
The canonical SMILES for 1-[(1S)-1-methoxy-1,2,3,4,4a,9a-hexahydrocarbazol-9-yl]ethanone is CO[C@H]1CCCC2c3ccccc3N(C(C)=O)C21.
What is the InChIKey of 1-[(1S)-1-methoxy-1,2,3,4,4a,9a-hexahydrocarbazol-9-yl]ethanone?
The InChIKey is XQMNACHJRSCBNQ-BLZCZZARSA-N. The full InChI is InChI=1S/C15H19NO2/c1-10(17)16-13-8-4-3-6-11(13)12-7-5-9-14(18-2)15(12)16/h3-4,6,8,12,14-15H,5,7,9H2,1-2H3/t12?,14-,15?/m0/s1.
What are the key properties of 1-[(1S)-1-methoxy-1,2,3,4,4a,9a-hexahydrocarbazol-9-yl]ethanone?
1-[(1S)-1-methoxy-1,2,3,4,4a,9a-hexahydrocarbazol-9-yl]ethanone has a molecular weight of 245.32 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-methoxy-1,2,3,4,4a,9a-hexahydrocarbazol-9-yl]ethanone is sourced from PubChem (CID 154720240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).