4-amino-1-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidin-2-one

C14H19ClN2O — CID 168699121

IUPAC4-amino-1-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidin-2-one
SMILESCC(C)(CN1CC(N)CC1=O)c1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O/c1-14(2,10-4-3-5-11(15)6-10)9-17-8-12(16)7-13(17)18/h3-6,12H,7-9,16H2,1-2H3
InChIKeyVKKAXXXRHMESSD-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.18
Rot. Bonds3

About 4-amino-1-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidin-2-one

4-amino-1-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidin-2-one (PubChem CID 168699121) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 4-amino-1-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidin-2-one
PubChem CID168699121
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name4-amino-1-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidin-2-one
SMILESCC(C)(CN1CC(N)CC1=O)c1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O/c1-14(2,10-4-3-5-11(15)6-10)9-17-8-12(16)7-13(17)18/h3-6,12H,7-9,16H2,1-2H3
InChIKeyVKKAXXXRHMESSD-UHFFFAOYSA-N
XLogP2.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidin-2-one?
The IUPAC name of 4-amino-1-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidin-2-one (CID 168699121) is 4-amino-1-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidin-2-one is CC(C)(CN1CC(N)CC1=O)c1cccc(Cl)c1.
What is the InChIKey of 4-amino-1-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidin-2-one?
The InChIKey is VKKAXXXRHMESSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-14(2,10-4-3-5-11(15)6-10)9-17-8-12(16)7-13(17)18/h3-6,12H,7-9,16H2,1-2H3.
What are the key properties of 4-amino-1-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidin-2-one?
4-amino-1-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidin-2-one has a molecular weight of 266.77 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidin-2-one is sourced from PubChem (CID 168699121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).