1-[2-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one

C16H20N2O2 — CID 20954459

IUPAC1-[2-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one
SMILESCCC(=O)N1c2ccccc2CC1C(=O)N1CCCC1
InChIInChI=1S/C16H20N2O2/c1-2-15(19)18-13-8-4-3-7-12(13)11-14(18)16(20)17-9-5-6-10-17/h3-4,7-8,14H,2,5-6,9-11H2,1H3
InChIKeyYSCAPHMGXCNJJP-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.98
Rot. Bonds2

About 1-[2-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one

1-[2-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one (PubChem CID 20954459) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[2-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one
PubChem CID20954459
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-[2-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one
SMILESCCC(=O)N1c2ccccc2CC1C(=O)N1CCCC1
InChIInChI=1S/C16H20N2O2/c1-2-15(19)18-13-8-4-3-7-12(13)11-14(18)16(20)17-9-5-6-10-17/h3-4,7-8,14H,2,5-6,9-11H2,1H3
InChIKeyYSCAPHMGXCNJJP-UHFFFAOYSA-N
XLogP1.98
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-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

ethyl 1-[(2S)-1-propanoyl-2,3-dihydroindole-2-carbonyl]piperidine-4-carboxylate
CID 92715776
1-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one
CID 20954460
1-[2-(4-ethylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 20954290
1-[(2S)-2-(4-propylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 92710234
N-cycloheptyl-1-propanoyl-2,3-dihydroindole-2-carboxamide
CID 20954482
(2S)-2-[(3R)-3-methylpiperidine-1-carbonyl]-2,3-dihydroindole-1-carboxylic acid
CID 69275495
N-(3-methylbutyl)-1-propanoyl-2,3-dihydroindole-2-carboxamide
CID 20954495
1-propanoyl-N-[3-(4-propylpiperazin-1-yl)propyl]-2,3-dihydroindole-2-carboxamide
CID 20954539
N-(3-methoxypropyl)-1-propanoyl-2,3-dihydroindole-2-carboxamide
CID 20954507
N-[2-[cyclohexyl(methyl)amino]ethyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide
CID 20954540
N-[(4-methylsulfanylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide
CID 20954542
1-[(2S)-2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone
CID 110023787

Frequently Asked Questions

What is the IUPAC name of 1-[2-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one?
The IUPAC name of 1-[2-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one (CID 20954459) is 1-[2-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one.
What is the SMILES notation for 1-[2-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one?
The canonical SMILES for 1-[2-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one is CCC(=O)N1c2ccccc2CC1C(=O)N1CCCC1.
What is the InChIKey of 1-[2-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one?
The InChIKey is YSCAPHMGXCNJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-2-15(19)18-13-8-4-3-7-12(13)11-14(18)16(20)17-9-5-6-10-17/h3-4,7-8,14H,2,5-6,9-11H2,1H3.
What are the key properties of 1-[2-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one?
1-[2-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one has a molecular weight of 272.35 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one is sourced from PubChem (CID 20954459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).