4-(4-chlorophenyl)-1-(2-propylpentanoyl)pyrrolidin-2-one

C18H24ClNO2 — CID 3071504

IUPAC4-(4-chlorophenyl)-1-(2-propylpentanoyl)pyrrolidin-2-one
SMILESCCCC(CCC)C(=O)N1CC(c2ccc(Cl)cc2)CC1=O
InChIInChI=1S/C18H24ClNO2/c1-3-5-14(6-4-2)18(22)20-12-15(11-17(20)21)13-7-9-16(19)10-8-13/h7-10,14-15H,3-6,11-12H2,1-2H3
InChIKeyWQICSWQEEGQPNO-UHFFFAOYSA-N
MW321.85 g/mol
LogP4.40
Rot. Bonds6

About 4-(4-chlorophenyl)-1-(2-propylpentanoyl)pyrrolidin-2-one

4-(4-chlorophenyl)-1-(2-propylpentanoyl)pyrrolidin-2-one (PubChem CID 3071504) has the molecular formula C18H24ClNO2 and a molecular weight of 321.85 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-(2-propylpentanoyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-(2-propylpentanoyl)pyrrolidin-2-one
PubChem CID3071504
Molecular FormulaC18H24ClNO2
Molecular Weight321.85 g/mol
Exact Mass321.15
IUPAC Name4-(4-chlorophenyl)-1-(2-propylpentanoyl)pyrrolidin-2-one
SMILESCCCC(CCC)C(=O)N1CC(c2ccc(Cl)cc2)CC1=O
InChIInChI=1S/C18H24ClNO2/c1-3-5-14(6-4-2)18(22)20-12-15(11-17(20)21)13-7-9-16(19)10-8-13/h7-10,14-15H,3-6,11-12H2,1-2H3
InChIKeyWQICSWQEEGQPNO-UHFFFAOYSA-N
XLogP4.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-(2-propylpentanoyl)pyrrolidin-2-one?
The IUPAC name of 4-(4-chlorophenyl)-1-(2-propylpentanoyl)pyrrolidin-2-one (CID 3071504) is 4-(4-chlorophenyl)-1-(2-propylpentanoyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(4-chlorophenyl)-1-(2-propylpentanoyl)pyrrolidin-2-one?
The canonical SMILES for 4-(4-chlorophenyl)-1-(2-propylpentanoyl)pyrrolidin-2-one is CCCC(CCC)C(=O)N1CC(c2ccc(Cl)cc2)CC1=O.
What is the InChIKey of 4-(4-chlorophenyl)-1-(2-propylpentanoyl)pyrrolidin-2-one?
The InChIKey is WQICSWQEEGQPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNO2/c1-3-5-14(6-4-2)18(22)20-12-15(11-17(20)21)13-7-9-16(19)10-8-13/h7-10,14-15H,3-6,11-12H2,1-2H3.
What are the key properties of 4-(4-chlorophenyl)-1-(2-propylpentanoyl)pyrrolidin-2-one?
4-(4-chlorophenyl)-1-(2-propylpentanoyl)pyrrolidin-2-one has a molecular weight of 321.85 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-(2-propylpentanoyl)pyrrolidin-2-one is sourced from PubChem (CID 3071504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).