4-(4-chlorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one

C14H18ClNO — CID 66106592

IUPAC4-(4-chlorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(C)CC1NC(=O)CC1c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO/c1-9(2)7-13-12(8-14(17)16-13)10-3-5-11(15)6-4-10/h3-6,9,12-13H,7-8H2,1-2H3,(H,16,17)
InChIKeyVHKIDGDJFWDHGC-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.36
Rot. Bonds3

About 4-(4-chlorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one

4-(4-chlorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one (PubChem CID 66106592) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one
PubChem CID66106592
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name4-(4-chlorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(C)CC1NC(=O)CC1c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO/c1-9(2)7-13-12(8-14(17)16-13)10-3-5-11(15)6-4-10/h3-6,9,12-13H,7-8H2,1-2H3,(H,16,17)
InChIKeyVHKIDGDJFWDHGC-UHFFFAOYSA-N
XLogP3.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one?
The IUPAC name of 4-(4-chlorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one (CID 66106592) is 4-(4-chlorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(4-chlorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one?
The canonical SMILES for 4-(4-chlorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one is CC(C)CC1NC(=O)CC1c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one?
The InChIKey is VHKIDGDJFWDHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-9(2)7-13-12(8-14(17)16-13)10-3-5-11(15)6-4-10/h3-6,9,12-13H,7-8H2,1-2H3,(H,16,17).
What are the key properties of 4-(4-chlorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one?
4-(4-chlorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one has a molecular weight of 251.76 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 66106592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).