1-(2-phenyl-1H-indol-3-yl)-2-pyrrolidin-1-ylethanone

C20H20N2O — CID 9033533

IUPAC1-(2-phenyl-1H-indol-3-yl)-2-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCCC1)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C20H20N2O/c23-18(14-22-12-6-7-13-22)19-16-10-4-5-11-17(16)21-20(19)15-8-2-1-3-9-15/h1-5,8-11,21H,6-7,12-14H2
InChIKeyGWHPDWDBFKSIQP-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.11
Rot. Bonds4

About 1-(2-phenyl-1H-indol-3-yl)-2-pyrrolidin-1-ylethanone

1-(2-phenyl-1H-indol-3-yl)-2-pyrrolidin-1-ylethanone (PubChem CID 9033533) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-(2-phenyl-1H-indol-3-yl)-2-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name1-(2-phenyl-1H-indol-3-yl)-2-pyrrolidin-1-ylethanone
PubChem CID9033533
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name1-(2-phenyl-1H-indol-3-yl)-2-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCCC1)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C20H20N2O/c23-18(14-22-12-6-7-13-22)19-16-10-4-5-11-17(16)21-20(19)15-8-2-1-3-9-15/h1-5,8-11,21H,6-7,12-14H2
InChIKeyGWHPDWDBFKSIQP-UHFFFAOYSA-N
XLogP4.11
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-(2-phenyl-1H-indol-3-yl)ethanone
CID 30741257
1-(2-phenyl-1H-indol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 8548729
N-[1-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]piperidin-3-yl]methanesulfonamide
CID 55853401
3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4884583
1-(2-phenyl-1H-indol-3-yl)-2-(5-phenyltetrazol-2-yl)ethanone
CID 7277959
1-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylethanone
CID 718235
1-(2-methyl-1H-indol-3-yl)-2-thiomorpholin-4-ylethanone
CID 659447
1-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 8001888
3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-1,2,3-benzotriazin-4-one
CID 7529241
1-(1H-indol-3-yl)-2-pyrrolidin-1-ylethanone
CID 913151
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 947076
1-(2-methylpropyl)-3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]imidazolidine-2,4,5-trione
CID 7557969

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenyl-1H-indol-3-yl)-2-pyrrolidin-1-ylethanone?
The IUPAC name of 1-(2-phenyl-1H-indol-3-yl)-2-pyrrolidin-1-ylethanone (CID 9033533) is 1-(2-phenyl-1H-indol-3-yl)-2-pyrrolidin-1-ylethanone.
What is the SMILES notation for 1-(2-phenyl-1H-indol-3-yl)-2-pyrrolidin-1-ylethanone?
The canonical SMILES for 1-(2-phenyl-1H-indol-3-yl)-2-pyrrolidin-1-ylethanone is O=C(CN1CCCC1)c1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of 1-(2-phenyl-1H-indol-3-yl)-2-pyrrolidin-1-ylethanone?
The InChIKey is GWHPDWDBFKSIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c23-18(14-22-12-6-7-13-22)19-16-10-4-5-11-17(16)21-20(19)15-8-2-1-3-9-15/h1-5,8-11,21H,6-7,12-14H2.
What are the key properties of 1-(2-phenyl-1H-indol-3-yl)-2-pyrrolidin-1-ylethanone?
1-(2-phenyl-1H-indol-3-yl)-2-pyrrolidin-1-ylethanone has a molecular weight of 304.39 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenyl-1H-indol-3-yl)-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 9033533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).