1-(2-chloro-5-methylphenyl)-3-(propylamino)pyrrolidin-2-one

C14H19ClN2O — CID 107636295

IUPAC1-(2-chloro-5-methylphenyl)-3-(propylamino)pyrrolidin-2-one
SMILESCCCNC1CCN(c2cc(C)ccc2Cl)C1=O
InChIInChI=1S/C14H19ClN2O/c1-3-7-16-12-6-8-17(14(12)18)13-9-10(2)4-5-11(13)15/h4-5,9,12,16H,3,6-8H2,1-2H3
InChIKeyVNVYRQMVYHRIMJ-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.75
Rot. Bonds4

About 1-(2-chloro-5-methylphenyl)-3-(propylamino)pyrrolidin-2-one

1-(2-chloro-5-methylphenyl)-3-(propylamino)pyrrolidin-2-one (PubChem CID 107636295) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 1-(2-chloro-5-methylphenyl)-3-(propylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-chloro-5-methylphenyl)-3-(propylamino)pyrrolidin-2-one
PubChem CID107636295
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name1-(2-chloro-5-methylphenyl)-3-(propylamino)pyrrolidin-2-one
SMILESCCCNC1CCN(c2cc(C)ccc2Cl)C1=O
InChIInChI=1S/C14H19ClN2O/c1-3-7-16-12-6-8-17(14(12)18)13-9-10(2)4-5-11(13)15/h4-5,9,12,16H,3,6-8H2,1-2H3
InChIKeyVNVYRQMVYHRIMJ-UHFFFAOYSA-N
XLogP2.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-chloro-5-methylphenyl)-3-(propylamino)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

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-methylphenyl)-3-(propylamino)pyrrolidin-2-one?
The IUPAC name of 1-(2-chloro-5-methylphenyl)-3-(propylamino)pyrrolidin-2-one (CID 107636295) is 1-(2-chloro-5-methylphenyl)-3-(propylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-chloro-5-methylphenyl)-3-(propylamino)pyrrolidin-2-one?
The canonical SMILES for 1-(2-chloro-5-methylphenyl)-3-(propylamino)pyrrolidin-2-one is CCCNC1CCN(c2cc(C)ccc2Cl)C1=O.
What is the InChIKey of 1-(2-chloro-5-methylphenyl)-3-(propylamino)pyrrolidin-2-one?
The InChIKey is VNVYRQMVYHRIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-3-7-16-12-6-8-17(14(12)18)13-9-10(2)4-5-11(13)15/h4-5,9,12,16H,3,6-8H2,1-2H3.
What are the key properties of 1-(2-chloro-5-methylphenyl)-3-(propylamino)pyrrolidin-2-one?
1-(2-chloro-5-methylphenyl)-3-(propylamino)pyrrolidin-2-one has a molecular weight of 266.77 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-methylphenyl)-3-(propylamino)pyrrolidin-2-one is sourced from PubChem (CID 107636295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).