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

C14H19ClN2O — CID 54973419

IUPAC1-(3-chloro-2-methylphenyl)-3-(propylamino)pyrrolidin-2-one
SMILESCCCNC1CCN(c2cccc(Cl)c2C)C1=O
InChIInChI=1S/C14H19ClN2O/c1-3-8-16-12-7-9-17(14(12)18)13-6-4-5-11(15)10(13)2/h4-6,12,16H,3,7-9H2,1-2H3
InChIKeyANROPZOIUAKJCH-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.75
Rot. Bonds4

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

1-(3-chloro-2-methylphenyl)-3-(propylamino)pyrrolidin-2-one (PubChem CID 54973419) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-3-(propylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-3-(propylamino)pyrrolidin-2-one
PubChem CID54973419
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name1-(3-chloro-2-methylphenyl)-3-(propylamino)pyrrolidin-2-one
SMILESCCCNC1CCN(c2cccc(Cl)c2C)C1=O
InChIInChI=1S/C14H19ClN2O/c1-3-8-16-12-7-9-17(14(12)18)13-6-4-5-11(15)10(13)2/h4-6,12,16H,3,7-9H2,1-2H3
InChIKeyANROPZOIUAKJCH-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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-3-(propylamino)pyrrolidin-2-one?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-3-(propylamino)pyrrolidin-2-one (CID 54973419) is 1-(3-chloro-2-methylphenyl)-3-(propylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-3-(propylamino)pyrrolidin-2-one?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-3-(propylamino)pyrrolidin-2-one is CCCNC1CCN(c2cccc(Cl)c2C)C1=O.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-3-(propylamino)pyrrolidin-2-one?
The InChIKey is ANROPZOIUAKJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-3-8-16-12-7-9-17(14(12)18)13-6-4-5-11(15)10(13)2/h4-6,12,16H,3,7-9H2,1-2H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)-3-(propylamino)pyrrolidin-2-one?
1-(3-chloro-2-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-(3-chloro-2-methylphenyl)-3-(propylamino)pyrrolidin-2-one is sourced from PubChem (CID 54973419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).