1-(3-chloro-4-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one

C16H19ClN2O2 — CID 6497320

IUPAC1-(3-chloro-4-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(C(=O)N3CCCC3)CC2=O)cc1Cl
InChIInChI=1S/C16H19ClN2O2/c1-11-4-5-13(9-14(11)17)19-10-12(8-15(19)20)16(21)18-6-2-3-7-18/h4-5,9,12H,2-3,6-8,10H2,1H3
InChIKeyGRUMWFOORDUZNL-UHFFFAOYSA-N
MW306.79 g/mol
LogP2.62
Rot. Bonds2

About 1-(3-chloro-4-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one

1-(3-chloro-4-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one (PubChem CID 6497320) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
PubChem CID6497320
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name1-(3-chloro-4-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(C(=O)N3CCCC3)CC2=O)cc1Cl
InChIInChI=1S/C16H19ClN2O2/c1-11-4-5-13(9-14(11)17)19-10-12(8-15(19)20)16(21)18-6-2-3-7-18/h4-5,9,12H,2-3,6-8,10H2,1H3
InChIKeyGRUMWFOORDUZNL-UHFFFAOYSA-N
XLogP2.62
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one (CID 6497320) is 1-(3-chloro-4-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one is Cc1ccc(N2CC(C(=O)N3CCCC3)CC2=O)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is GRUMWFOORDUZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-11-4-5-13(9-14(11)17)19-10-12(8-15(19)20)16(21)18-6-2-3-7-18/h4-5,9,12H,2-3,6-8,10H2,1H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one?
1-(3-chloro-4-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 306.79 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 6497320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).