1-[2-methyl-4-(propylamino)phenyl]pyrrolidin-2-one

C14H20N2O — CID 63090031

IUPAC1-[2-methyl-4-(propylamino)phenyl]pyrrolidin-2-one
SMILESCCCNc1ccc(N2CCCC2=O)c(C)c1
InChIInChI=1S/C14H20N2O/c1-3-8-15-12-6-7-13(11(2)10-12)16-9-4-5-14(16)17/h6-7,10,15H,3-5,8-9H2,1-2H3
InChIKeyOIVVAZNOMBYCTI-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.94
Rot. Bonds4

About 1-[2-methyl-4-(propylamino)phenyl]pyrrolidin-2-one

1-[2-methyl-4-(propylamino)phenyl]pyrrolidin-2-one (PubChem CID 63090031) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-[2-methyl-4-(propylamino)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-methyl-4-(propylamino)phenyl]pyrrolidin-2-one
PubChem CID63090031
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-[2-methyl-4-(propylamino)phenyl]pyrrolidin-2-one
SMILESCCCNc1ccc(N2CCCC2=O)c(C)c1
InChIInChI=1S/C14H20N2O/c1-3-8-15-12-6-7-13(11(2)10-12)16-9-4-5-14(16)17/h6-7,10,15H,3-5,8-9H2,1-2H3
InChIKeyOIVVAZNOMBYCTI-UHFFFAOYSA-N
XLogP2.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-propyloxamide
CID 30679260
2,2-dimethyl-N-[3-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropyl]propanamide
CID 18155158
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(propan-2-ylamino)acetamide
CID 60718577
N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]acetamide
CID 37219418
1-bromo-N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]methanesulfonamide
CID 7636190
4-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoic acid
CID 45393767
N'-(3,5-dimethylphenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679282
4-butyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 24601128
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 99954159
2,5-dimethyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 42140184
[2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl] 2,2-dimethylpropanoate
CID 7686604
1-(4-iodo-2-methylphenyl)pyrrolidin-2-one
CID 146014874

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-(propylamino)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-methyl-4-(propylamino)phenyl]pyrrolidin-2-one (CID 63090031) is 1-[2-methyl-4-(propylamino)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-methyl-4-(propylamino)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-methyl-4-(propylamino)phenyl]pyrrolidin-2-one is CCCNc1ccc(N2CCCC2=O)c(C)c1.
What is the InChIKey of 1-[2-methyl-4-(propylamino)phenyl]pyrrolidin-2-one?
The InChIKey is OIVVAZNOMBYCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-8-15-12-6-7-13(11(2)10-12)16-9-4-5-14(16)17/h6-7,10,15H,3-5,8-9H2,1-2H3.
What are the key properties of 1-[2-methyl-4-(propylamino)phenyl]pyrrolidin-2-one?
1-[2-methyl-4-(propylamino)phenyl]pyrrolidin-2-one has a molecular weight of 232.33 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-(propylamino)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 63090031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).