1-[(2S)-2-(9-azabicyclo[3.3.1]nonane-9-carbonyl)-2,3-dihydroindol-1-yl]ethanone

C19H24N2O2 — CID 136580467

IUPAC1-[(2S)-2-(9-azabicyclo[3.3.1]nonane-9-carbonyl)-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1c2ccccc2C[C@H]1C(=O)N1C2CCCC1CCC2
InChIInChI=1S/C19H24N2O2/c1-13(22)20-17-11-3-2-6-14(17)12-18(20)19(23)21-15-7-4-8-16(21)10-5-9-15/h2-3,6,11,15-16,18H,4-5,7-10,12H2,1H3/t15?,16?,18-/m0/s1
InChIKeyWSMKCUSPWKEDRL-HTWSVDAQSA-N
MW312.41 g/mol
LogP2.90
Rot. Bonds1

About 1-[(2S)-2-(9-azabicyclo[3.3.1]nonane-9-carbonyl)-2,3-dihydroindol-1-yl]ethanone

1-[(2S)-2-(9-azabicyclo[3.3.1]nonane-9-carbonyl)-2,3-dihydroindol-1-yl]ethanone (PubChem CID 136580467) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-[(2S)-2-(9-azabicyclo[3.3.1]nonane-9-carbonyl)-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-(9-azabicyclo[3.3.1]nonane-9-carbonyl)-2,3-dihydroindol-1-yl]ethanone
PubChem CID136580467
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-[(2S)-2-(9-azabicyclo[3.3.1]nonane-9-carbonyl)-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1c2ccccc2C[C@H]1C(=O)N1C2CCCC1CCC2
InChIInChI=1S/C19H24N2O2/c1-13(22)20-17-11-3-2-6-14(17)12-18(20)19(23)21-15-7-4-8-16(21)10-5-9-15/h2-3,6,11,15-16,18H,4-5,7-10,12H2,1H3/t15?,16?,18-/m0/s1
InChIKeyWSMKCUSPWKEDRL-HTWSVDAQSA-N
XLogP2.90
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(2S)-2-(9-azabicyclo[3.3.1]nonane-9-carbonyl)-2,3-dihydroindol-1-yl]ethanone with MolForge

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Related Compounds

1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
(2R)-1-acetyl-N-methyl-2,3-dihydroindole-2-carboxamide
CID 40805370
1-[(2S)-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 139325971
1-[(2S,3R)-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 139325809
(2S)-1-acetyl-N-cyclopropyl-N-ethyl-2,3-dihydroindole-2-carboxamide
CID 136580381
1-[2-(4-ethylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 20954290
1-[(2S)-2-[2-[(dimethylamino)methyl]piperidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone
CID 136580393
1-[(2S)-2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone
CID 110023787
3-[(2R)-1-[(2S)-1-acetyl-2,3-dihydroindole-2-carbonyl]piperidin-2-yl]propanoic acid
CID 124681571
(2S)-1-(cyclobutanecarbonyl)-2,3-dihydroindole-2-carboxamide
CID 86777025
1-[(2S)-2-(4-propylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 92710234
1-acetyl-N-[2-(dimethylamino)ethyl]-2,3-dihydroindole-2-carboxamide
CID 53299064

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(9-azabicyclo[3.3.1]nonane-9-carbonyl)-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[(2S)-2-(9-azabicyclo[3.3.1]nonane-9-carbonyl)-2,3-dihydroindol-1-yl]ethanone (CID 136580467) is 1-[(2S)-2-(9-azabicyclo[3.3.1]nonane-9-carbonyl)-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-(9-azabicyclo[3.3.1]nonane-9-carbonyl)-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-(9-azabicyclo[3.3.1]nonane-9-carbonyl)-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1c2ccccc2C[C@H]1C(=O)N1C2CCCC1CCC2.
What is the InChIKey of 1-[(2S)-2-(9-azabicyclo[3.3.1]nonane-9-carbonyl)-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is WSMKCUSPWKEDRL-HTWSVDAQSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13(22)20-17-11-3-2-6-14(17)12-18(20)19(23)21-15-7-4-8-16(21)10-5-9-15/h2-3,6,11,15-16,18H,4-5,7-10,12H2,1H3/t15?,16?,18-/m0/s1.
What are the key properties of 1-[(2S)-2-(9-azabicyclo[3.3.1]nonane-9-carbonyl)-2,3-dihydroindol-1-yl]ethanone?
1-[(2S)-2-(9-azabicyclo[3.3.1]nonane-9-carbonyl)-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 312.41 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(9-azabicyclo[3.3.1]nonane-9-carbonyl)-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 136580467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).