1-[(4-chlorophenyl)methyl]-5-[2-(ethylamino)ethyl]pyrrolidin-2-one

C15H21ClN2O — CID 45215570

IUPAC1-[(4-chlorophenyl)methyl]-5-[2-(ethylamino)ethyl]pyrrolidin-2-one
SMILESCCNCCC1CCC(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O/c1-2-17-10-9-14-7-8-15(19)18(14)11-12-3-5-13(16)6-4-12/h3-6,14,17H,2,7-11H2,1H3
InChIKeyGABCPZYCRVEBAE-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.83
Rot. Bonds6

About 1-[(4-chlorophenyl)methyl]-5-[2-(ethylamino)ethyl]pyrrolidin-2-one

1-[(4-chlorophenyl)methyl]-5-[2-(ethylamino)ethyl]pyrrolidin-2-one (PubChem CID 45215570) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-5-[2-(ethylamino)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-5-[2-(ethylamino)ethyl]pyrrolidin-2-one
PubChem CID45215570
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name1-[(4-chlorophenyl)methyl]-5-[2-(ethylamino)ethyl]pyrrolidin-2-one
SMILESCCNCCC1CCC(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O/c1-2-17-10-9-14-7-8-15(19)18(14)11-12-3-5-13(16)6-4-12/h3-6,14,17H,2,7-11H2,1H3
InChIKeyGABCPZYCRVEBAE-UHFFFAOYSA-N
XLogP2.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(4-chlorophenyl)methyl]-5-[2-(ethylamino)ethyl]pyrrolidin-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

5-[2-(ethylamino)ethyl]-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
CID 56858054
(5R)-1-[(4-chlorophenyl)methyl]-5-[2-[(3-methoxyphenyl)methylamino]ethyl]pyrrolidin-2-one
CID 26356442
(5S)-1-(3,3-diphenylpropyl)-5-[2-(ethylamino)ethyl]pyrrolidin-2-one
CID 125163192
(5S)-5-[2-[(6-chloro-1,3-benzodioxol-5-yl)methylamino]ethyl]-1-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-2-one
CID 26317065
5-[2-(2-methoxyethylamino)ethyl]-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
CID 45224430
methyl 4-[[2-[(2S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]ethylamino]methyl]benzoate
CID 26344788
(5S)-1-[(2,5-difluorophenyl)methyl]-5-[2-[(4-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one
CID 42239593
1-[(3-fluoro-4-methylphenyl)methyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one
CID 45195483
5-[2-(ethylamino)ethyl]-1-(3-methylsulfanylpropyl)pyrrolidin-2-one
CID 56859292
1-[(4-chlorophenyl)methyl]-5-(2,6-dimethylheptan-4-yloxymethyl)pyrrolidin-2-one
CID 10761369
5-(2-aminoethyl)-1-benzylpyrrolidin-2-one
CID 53415041
1-[(3,4-dimethoxyphenyl)methyl]-5-[2-(prop-2-enylamino)ethyl]pyrrolidin-2-one
CID 118757532

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-5-[2-(ethylamino)ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-5-[2-(ethylamino)ethyl]pyrrolidin-2-one (CID 45215570) is 1-[(4-chlorophenyl)methyl]-5-[2-(ethylamino)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-5-[2-(ethylamino)ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-5-[2-(ethylamino)ethyl]pyrrolidin-2-one is CCNCCC1CCC(=O)N1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-5-[2-(ethylamino)ethyl]pyrrolidin-2-one?
The InChIKey is GABCPZYCRVEBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-2-17-10-9-14-7-8-15(19)18(14)11-12-3-5-13(16)6-4-12/h3-6,14,17H,2,7-11H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-5-[2-(ethylamino)ethyl]pyrrolidin-2-one?
1-[(4-chlorophenyl)methyl]-5-[2-(ethylamino)ethyl]pyrrolidin-2-one has a molecular weight of 280.80 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-5-[2-(ethylamino)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 45215570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).