1-[4-(methylamino)phenyl]pyrrolidin-2-one

C11H14N2O — CID 54310012

IUPAC1-[4-(methylamino)phenyl]pyrrolidin-2-one
SMILESCNc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C11H14N2O/c1-12-9-4-6-10(7-5-9)13-8-2-3-11(13)14/h4-7,12H,2-3,8H2,1H3
InChIKeySKFDPEGDNOZBMZ-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.86
Rot. Bonds2

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

1-[4-(methylamino)phenyl]pyrrolidin-2-one (PubChem CID 54310012) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-[4-(methylamino)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(methylamino)phenyl]pyrrolidin-2-one
PubChem CID54310012
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-[4-(methylamino)phenyl]pyrrolidin-2-one
SMILESCNc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C11H14N2O/c1-12-9-4-6-10(7-5-9)13-8-2-3-11(13)14/h4-7,12H,2-3,8H2,1H3
InChIKeySKFDPEGDNOZBMZ-UHFFFAOYSA-N
XLogP1.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
ethane;1-(4-methylphenyl)pyrrolidin-2-one
CID 143607645
1-[4-(2-methylpropylamino)phenyl]pyrrolidin-2-one
CID 43679619
4-(2-oxopyrrolidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8823939
3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 18072161
N-(4-methylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8823223
4-acetamido-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 78788340
1-[4-(hexan-3-ylamino)phenyl]pyrrolidin-2-one
CID 103930966
1-[4-(1-cyclopentylethylamino)phenyl]pyrrolidin-2-one
CID 62632450
1-[4-(3-methylsulfanylpropylamino)phenyl]pyrrolidin-2-one
CID 43679602
1-[4-(methylamino-methylidene-oxo-λ6-sulfanyl)phenyl]pyrrolidin-2-one
CID 144718522

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylamino)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(methylamino)phenyl]pyrrolidin-2-one (CID 54310012) is 1-[4-(methylamino)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(methylamino)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(methylamino)phenyl]pyrrolidin-2-one is CNc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-[4-(methylamino)phenyl]pyrrolidin-2-one?
The InChIKey is SKFDPEGDNOZBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-12-9-4-6-10(7-5-9)13-8-2-3-11(13)14/h4-7,12H,2-3,8H2,1H3.
What are the key properties of 1-[4-(methylamino)phenyl]pyrrolidin-2-one?
1-[4-(methylamino)phenyl]pyrrolidin-2-one has a molecular weight of 190.25 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylamino)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 54310012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).