4-amino-1-(2-methyl-1H-indol-5-yl)pyrrolidin-2-one

C13H15N3O — CID 168699934

IUPAC4-amino-1-(2-methyl-1H-indol-5-yl)pyrrolidin-2-one
SMILESCc1cc2cc(N3CC(N)CC3=O)ccc2[nH]1
InChIInChI=1S/C13H15N3O/c1-8-4-9-5-11(2-3-12(9)15-8)16-7-10(14)6-13(16)17/h2-5,10,15H,6-7,14H2,1H3
InChIKeyUXFUZZFCHGHHAN-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.54
Rot. Bonds1

About 4-amino-1-(2-methyl-1H-indol-5-yl)pyrrolidin-2-one

4-amino-1-(2-methyl-1H-indol-5-yl)pyrrolidin-2-one (PubChem CID 168699934) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-amino-1-(2-methyl-1H-indol-5-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-(2-methyl-1H-indol-5-yl)pyrrolidin-2-one
PubChem CID168699934
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name4-amino-1-(2-methyl-1H-indol-5-yl)pyrrolidin-2-one
SMILESCc1cc2cc(N3CC(N)CC3=O)ccc2[nH]1
InChIInChI=1S/C13H15N3O/c1-8-4-9-5-11(2-3-12(9)15-8)16-7-10(14)6-13(16)17/h2-5,10,15H,6-7,14H2,1H3
InChIKeyUXFUZZFCHGHHAN-UHFFFAOYSA-N
XLogP1.54
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethynyl-1-(2-methyl-1H-indol-5-yl)pyrrolidin-2-one
CID 168501334
4-amino-1-(3,4-dimethylphenyl)pyrrolidin-2-one;hydrochloride
CID 71779044
4-amino-1-(4-fluoro-3-methylphenyl)pyrrolidin-2-one
CID 62813427
(4S)-4-amino-1-(4-bromo-3-methylphenyl)pyrrolidin-2-one
CID 93094958
4-amino-1-(2,5-dimethyl-1H-pyrrol-3-yl)pyrrolidin-2-one
CID 83531050
4-amino-1-(3,4-difluorophenyl)pyrrolidin-2-one
CID 43521146
4-(4-amino-2-oxopyrrolidin-1-yl)-2-methylbenzonitrile
CID 168699726
4-amino-1-(3-bromophenyl)pyrrolidin-2-one
CID 43521015
4-amino-1-(3,5-dibromophenyl)pyrrolidin-2-one
CID 168700989
4-amino-1-(4-chloro-3-iodophenyl)pyrrolidin-2-one
CID 168700601
4-amino-1-(4-chlorophenyl)pyrrolidin-2-one;hydrochloride
CID 53433785
(4R)-4-amino-1-(3-fluorophenyl)pyrrolidin-2-one
CID 26365707

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-methyl-1H-indol-5-yl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-(2-methyl-1H-indol-5-yl)pyrrolidin-2-one (CID 168699934) is 4-amino-1-(2-methyl-1H-indol-5-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-(2-methyl-1H-indol-5-yl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-(2-methyl-1H-indol-5-yl)pyrrolidin-2-one is Cc1cc2cc(N3CC(N)CC3=O)ccc2[nH]1.
What is the InChIKey of 4-amino-1-(2-methyl-1H-indol-5-yl)pyrrolidin-2-one?
The InChIKey is UXFUZZFCHGHHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-8-4-9-5-11(2-3-12(9)15-8)16-7-10(14)6-13(16)17/h2-5,10,15H,6-7,14H2,1H3.
What are the key properties of 4-amino-1-(2-methyl-1H-indol-5-yl)pyrrolidin-2-one?
4-amino-1-(2-methyl-1H-indol-5-yl)pyrrolidin-2-one has a molecular weight of 229.28 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-methyl-1H-indol-5-yl)pyrrolidin-2-one is sourced from PubChem (CID 168699934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).