4-amino-1-(2,5-dimethyl-1H-pyrrol-3-yl)pyrrolidin-2-one

C10H15N3O — CID 83531050

IUPAC4-amino-1-(2,5-dimethyl-1H-pyrrol-3-yl)pyrrolidin-2-one
SMILESCc1cc(N2CC(N)CC2=O)c(C)[nH]1
InChIInChI=1S/C10H15N3O/c1-6-3-9(7(2)12-6)13-5-8(11)4-10(13)14/h3,8,12H,4-5,11H2,1-2H3
InChIKeySZXBYOFCDAQEHS-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.70
Rot. Bonds1

About 4-amino-1-(2,5-dimethyl-1H-pyrrol-3-yl)pyrrolidin-2-one

4-amino-1-(2,5-dimethyl-1H-pyrrol-3-yl)pyrrolidin-2-one (PubChem CID 83531050) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-amino-1-(2,5-dimethyl-1H-pyrrol-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-(2,5-dimethyl-1H-pyrrol-3-yl)pyrrolidin-2-one
PubChem CID83531050
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name4-amino-1-(2,5-dimethyl-1H-pyrrol-3-yl)pyrrolidin-2-one
SMILESCc1cc(N2CC(N)CC2=O)c(C)[nH]1
InChIInChI=1S/C10H15N3O/c1-6-3-9(7(2)12-6)13-5-8(11)4-10(13)14/h3,8,12H,4-5,11H2,1-2H3
InChIKeySZXBYOFCDAQEHS-UHFFFAOYSA-N
XLogP0.70
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-(2-methyl-1H-indol-5-yl)pyrrolidin-2-one
CID 168699934
4-amino-1-(4-fluoro-2-methylphenyl)pyrrolidin-2-one
CID 43521142
4-amino-1-(2-chloro-4-fluoro-5-methylphenyl)pyrrolidin-2-one
CID 168699685
methyl 3-(4-amino-2-oxopyrrolidin-1-yl)-5-methylthiophene-2-carboxylate
CID 168699910
4-amino-1-[2-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 66476045
4-amino-1-(3-methyl-4-pyridinyl)pyrrolidin-2-one
CID 168699821
4-amino-1-(2-bromo-4-methylsulfonylphenyl)pyrrolidin-2-one
CID 168699646
methyl 2-(4-amino-2-oxopyrrolidin-1-yl)-4,5-difluorobenzoate
CID 168699418
4-amino-1-(2-bromo-6-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168699843
4-amino-1-(4,5-dimethyl-1H-pyrazol-3-yl)pyrrolidin-2-one
CID 168699870
4-amino-1-(3,4-dimethylphenyl)pyrrolidin-2-one;hydrochloride
CID 71779044
4-amino-1-(2-amino-3,5-dichlorophenyl)pyrrolidin-2-one
CID 168701038

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2,5-dimethyl-1H-pyrrol-3-yl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-(2,5-dimethyl-1H-pyrrol-3-yl)pyrrolidin-2-one (CID 83531050) is 4-amino-1-(2,5-dimethyl-1H-pyrrol-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-(2,5-dimethyl-1H-pyrrol-3-yl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-(2,5-dimethyl-1H-pyrrol-3-yl)pyrrolidin-2-one is Cc1cc(N2CC(N)CC2=O)c(C)[nH]1.
What is the InChIKey of 4-amino-1-(2,5-dimethyl-1H-pyrrol-3-yl)pyrrolidin-2-one?
The InChIKey is SZXBYOFCDAQEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-6-3-9(7(2)12-6)13-5-8(11)4-10(13)14/h3,8,12H,4-5,11H2,1-2H3.
What are the key properties of 4-amino-1-(2,5-dimethyl-1H-pyrrol-3-yl)pyrrolidin-2-one?
4-amino-1-(2,5-dimethyl-1H-pyrrol-3-yl)pyrrolidin-2-one has a molecular weight of 193.25 g/mol, XLogP of 0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2,5-dimethyl-1H-pyrrol-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 83531050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).