4-methyl-5-(2-methylpropyl)-4-naphthalen-1-ylpyrrolidin-2-one

C19H23NO — CID 66107669

IUPAC4-methyl-5-(2-methylpropyl)-4-naphthalen-1-ylpyrrolidin-2-one
SMILESCC(C)CC1NC(=O)CC1(C)c1cccc2ccccc12
InChIInChI=1S/C19H23NO/c1-13(2)11-17-19(3,12-18(21)20-17)16-10-6-8-14-7-4-5-9-15(14)16/h4-10,13,17H,11-12H2,1-3H3,(H,20,21)
InChIKeyUMQPYLJYVOONPH-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.03
Rot. Bonds3

About 4-methyl-5-(2-methylpropyl)-4-naphthalen-1-ylpyrrolidin-2-one

4-methyl-5-(2-methylpropyl)-4-naphthalen-1-ylpyrrolidin-2-one (PubChem CID 66107669) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-methyl-5-(2-methylpropyl)-4-naphthalen-1-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4-methyl-5-(2-methylpropyl)-4-naphthalen-1-ylpyrrolidin-2-one
PubChem CID66107669
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name4-methyl-5-(2-methylpropyl)-4-naphthalen-1-ylpyrrolidin-2-one
SMILESCC(C)CC1NC(=O)CC1(C)c1cccc2ccccc12
InChIInChI=1S/C19H23NO/c1-13(2)11-17-19(3,12-18(21)20-17)16-10-6-8-14-7-4-5-9-15(14)16/h4-10,13,17H,11-12H2,1-3H3,(H,20,21)
InChIKeyUMQPYLJYVOONPH-UHFFFAOYSA-N
XLogP4.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-methyl-5-(2-methylpropyl)-4-naphthalen-1-ylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

S 20928
CID 127856
N-(3-((4-((3-Aminopropyl)amino)butyl)amino)propyl)-1-naphthaleneacetamide
CID 129695
1,5-Dimethyl-3,3-diphenylpyrrolidin-2-one
CID 207584
N-Acenaphthen-1-ylmethyl-butyramide
CID 10515048
N-Acenaphthen-1-ylmethyl-propionamide
CID 10561982
N-(2-Aminoethyl)-1-naphthylacetamide hydrochloride
CID 3056271
N-(2,3-Dihydro-1H-phenalen-1-ylmethyl)-acetamide
CID 10752506
(2R)-N'-hydroxy-N-[(2R)-1-(methylamino)-3-naphthalen-1-yl-1-oxopropan-2-yl]-2-(2-methylpropyl)butanediamide
CID 44310921
N-(2,3-Dihydro-1H-phenalen-1-ylmethyl)-butyramide
CID 44353165
[(1R)-1-[[(2S)-2-acetamido-3-naphthalen-1-ylpropanoyl]amino]-3-methylbutyl]boronic acid
CID 44583187
Ala(1-naph)-boroLeu
CID 5351432
N-[2-(1-naphthyl)ethyl]acetamide
CID 9990794

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(2-methylpropyl)-4-naphthalen-1-ylpyrrolidin-2-one?
The IUPAC name of 4-methyl-5-(2-methylpropyl)-4-naphthalen-1-ylpyrrolidin-2-one (CID 66107669) is 4-methyl-5-(2-methylpropyl)-4-naphthalen-1-ylpyrrolidin-2-one.
What is the SMILES notation for 4-methyl-5-(2-methylpropyl)-4-naphthalen-1-ylpyrrolidin-2-one?
The canonical SMILES for 4-methyl-5-(2-methylpropyl)-4-naphthalen-1-ylpyrrolidin-2-one is CC(C)CC1NC(=O)CC1(C)c1cccc2ccccc12.
What is the InChIKey of 4-methyl-5-(2-methylpropyl)-4-naphthalen-1-ylpyrrolidin-2-one?
The InChIKey is UMQPYLJYVOONPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-13(2)11-17-19(3,12-18(21)20-17)16-10-6-8-14-7-4-5-9-15(14)16/h4-10,13,17H,11-12H2,1-3H3,(H,20,21).
What are the key properties of 4-methyl-5-(2-methylpropyl)-4-naphthalen-1-ylpyrrolidin-2-one?
4-methyl-5-(2-methylpropyl)-4-naphthalen-1-ylpyrrolidin-2-one has a molecular weight of 281.40 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2-methylpropyl)-4-naphthalen-1-ylpyrrolidin-2-one is sourced from PubChem (CID 66107669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).