4-(aminomethyl)-1-(4-methyl-2-oxochromen-7-yl)pyrrolidin-2-one

C15H16N2O3 — CID 168659228

IUPAC4-(aminomethyl)-1-(4-methyl-2-oxochromen-7-yl)pyrrolidin-2-one
SMILESCc1cc(=O)oc2cc(N3CC(CN)CC3=O)ccc12
InChIInChI=1S/C15H16N2O3/c1-9-4-15(19)20-13-6-11(2-3-12(9)13)17-8-10(7-16)5-14(17)18/h2-4,6,10H,5,7-8,16H2,1H3
InChIKeyYQKQSMCXEZVAOL-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.41
Rot. Bonds2

About 4-(aminomethyl)-1-(4-methyl-2-oxochromen-7-yl)pyrrolidin-2-one

4-(aminomethyl)-1-(4-methyl-2-oxochromen-7-yl)pyrrolidin-2-one (PubChem CID 168659228) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(4-methyl-2-oxochromen-7-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-(4-methyl-2-oxochromen-7-yl)pyrrolidin-2-one
PubChem CID168659228
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name4-(aminomethyl)-1-(4-methyl-2-oxochromen-7-yl)pyrrolidin-2-one
SMILESCc1cc(=O)oc2cc(N3CC(CN)CC3=O)ccc12
InChIInChI=1S/C15H16N2O3/c1-9-4-15(19)20-13-6-11(2-3-12(9)13)17-8-10(7-16)5-14(17)18/h2-4,6,10H,5,7-8,16H2,1H3
InChIKeyYQKQSMCXEZVAOL-UHFFFAOYSA-N
XLogP1.41
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-1-dibenzofuran-2-ylpyrrolidin-2-one
CID 168660701
5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-methylbenzoic acid
CID 168659844
7-(2,5-dimethylpyrrol-1-yl)-4-methylchromen-2-one
CID 102278578
4-(aminomethyl)-1-(2-methyl-4-pyridinyl)pyrrolidin-2-one
CID 168660066
4-(aminomethyl)-1-(3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one
CID 168661104
4-(aminomethyl)-1-(1-methylindol-5-yl)pyrrolidin-2-one
CID 168660089
4-(aminomethyl)-1-(3,5-difluoro-4-methylphenyl)pyrrolidin-2-one
CID 168659727
4-(aminomethyl)-1-(1-methylbenzimidazol-5-yl)pyrrolidin-2-one
CID 83543998
4-(aminomethyl)-1-(5-amino-2-methylphenyl)pyrrolidin-2-one
CID 168659847
4-(aminomethyl)-1-(1-methylindazol-6-yl)pyrrolidin-2-one
CID 168660102
4-(aminomethyl)-1-(1-methylindazol-5-yl)pyrrolidin-2-one
CID 168660104
4-(aminomethyl)-1-(4-phenyldiazenylphenyl)pyrrolidin-2-one
CID 168660724

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(4-methyl-2-oxochromen-7-yl)pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-(4-methyl-2-oxochromen-7-yl)pyrrolidin-2-one (CID 168659228) is 4-(aminomethyl)-1-(4-methyl-2-oxochromen-7-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-(4-methyl-2-oxochromen-7-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-(4-methyl-2-oxochromen-7-yl)pyrrolidin-2-one is Cc1cc(=O)oc2cc(N3CC(CN)CC3=O)ccc12.
What is the InChIKey of 4-(aminomethyl)-1-(4-methyl-2-oxochromen-7-yl)pyrrolidin-2-one?
The InChIKey is YQKQSMCXEZVAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-9-4-15(19)20-13-6-11(2-3-12(9)13)17-8-10(7-16)5-14(17)18/h2-4,6,10H,5,7-8,16H2,1H3.
What are the key properties of 4-(aminomethyl)-1-(4-methyl-2-oxochromen-7-yl)pyrrolidin-2-one?
4-(aminomethyl)-1-(4-methyl-2-oxochromen-7-yl)pyrrolidin-2-one has a molecular weight of 272.30 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(4-methyl-2-oxochromen-7-yl)pyrrolidin-2-one is sourced from PubChem (CID 168659228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).