1-(1-acetyl-2,3-dihydroindol-6-yl)-4-(aminomethyl)pyrrolidin-2-one

C15H19N3O2 — CID 168659198

IUPAC1-(1-acetyl-2,3-dihydroindol-6-yl)-4-(aminomethyl)pyrrolidin-2-one
SMILESCC(=O)N1CCc2ccc(N3CC(CN)CC3=O)cc21
InChIInChI=1S/C15H19N3O2/c1-10(19)17-5-4-12-2-3-13(7-14(12)17)18-9-11(8-16)6-15(18)20/h2-3,7,11H,4-6,8-9,16H2,1H3
InChIKeyICOYCPRALCHBLB-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.91
Rot. Bonds2

About 1-(1-acetyl-2,3-dihydroindol-6-yl)-4-(aminomethyl)pyrrolidin-2-one

1-(1-acetyl-2,3-dihydroindol-6-yl)-4-(aminomethyl)pyrrolidin-2-one (PubChem CID 168659198) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-(1-acetyl-2,3-dihydroindol-6-yl)-4-(aminomethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1-acetyl-2,3-dihydroindol-6-yl)-4-(aminomethyl)pyrrolidin-2-one
PubChem CID168659198
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-(1-acetyl-2,3-dihydroindol-6-yl)-4-(aminomethyl)pyrrolidin-2-one
SMILESCC(=O)N1CCc2ccc(N3CC(CN)CC3=O)cc21
InChIInChI=1S/C15H19N3O2/c1-10(19)17-5-4-12-2-3-13(7-14(12)17)18-9-11(8-16)6-15(18)20/h2-3,7,11H,4-6,8-9,16H2,1H3
InChIKeyICOYCPRALCHBLB-UHFFFAOYSA-N
XLogP0.91
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-acetyl-2,3-dihydroindol-6-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168716941
4-(aminomethyl)-1-(3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one
CID 168661104
5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-methylbenzoic acid
CID 168659844
6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]naphthalene-2-carboxylic acid
CID 168661200
3-(1-acetyl-2,3-dihydroindol-5-yl)-5-(aminomethyl)-1,3-oxazolidin-2-one
CID 22982594
1-[6-[3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 119972227
N-[4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-methoxyphenyl]acetamide
CID 168659212
5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2,3-dihydroisoindol-1-one
CID 168660659
1-(1-acetyl-2,3-dihydroindol-5-yl)-N-butan-2-yl-5-oxopyrrolidine-3-carboxamide
CID 53155620
2-(1-acetyl-2,3-dihydroindol-6-yl)isoindole-1,3-dione
CID 168516279
(4S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one
CID 95098414
4-(aminomethyl)-1-(1-methylindol-5-yl)pyrrolidin-2-one
CID 168660089

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetyl-2,3-dihydroindol-6-yl)-4-(aminomethyl)pyrrolidin-2-one?
The IUPAC name of 1-(1-acetyl-2,3-dihydroindol-6-yl)-4-(aminomethyl)pyrrolidin-2-one (CID 168659198) is 1-(1-acetyl-2,3-dihydroindol-6-yl)-4-(aminomethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(1-acetyl-2,3-dihydroindol-6-yl)-4-(aminomethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(1-acetyl-2,3-dihydroindol-6-yl)-4-(aminomethyl)pyrrolidin-2-one is CC(=O)N1CCc2ccc(N3CC(CN)CC3=O)cc21.
What is the InChIKey of 1-(1-acetyl-2,3-dihydroindol-6-yl)-4-(aminomethyl)pyrrolidin-2-one?
The InChIKey is ICOYCPRALCHBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10(19)17-5-4-12-2-3-13(7-14(12)17)18-9-11(8-16)6-15(18)20/h2-3,7,11H,4-6,8-9,16H2,1H3.
What are the key properties of 1-(1-acetyl-2,3-dihydroindol-6-yl)-4-(aminomethyl)pyrrolidin-2-one?
1-(1-acetyl-2,3-dihydroindol-6-yl)-4-(aminomethyl)pyrrolidin-2-one has a molecular weight of 273.34 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetyl-2,3-dihydroindol-6-yl)-4-(aminomethyl)pyrrolidin-2-one is sourced from PubChem (CID 168659198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).