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

C14H18ClNO2 — CID 168701854

IUPAC1-[2-(3-chlorophenyl)-2-methylpropyl]-4-hydroxypyrrolidin-2-one
SMILESCC(C)(CN1CC(O)CC1=O)c1cccc(Cl)c1
InChIInChI=1S/C14H18ClNO2/c1-14(2,10-4-3-5-11(15)6-10)9-16-8-12(17)7-13(16)18/h3-6,12,17H,7-9H2,1-2H3
InChIKeyOSVHFGDVNNRGKA-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.21
Rot. Bonds3

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

1-[2-(3-chlorophenyl)-2-methylpropyl]-4-hydroxypyrrolidin-2-one (PubChem CID 168701854) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)-2-methylpropyl]-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)-2-methylpropyl]-4-hydroxypyrrolidin-2-one
PubChem CID168701854
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name1-[2-(3-chlorophenyl)-2-methylpropyl]-4-hydroxypyrrolidin-2-one
SMILESCC(C)(CN1CC(O)CC1=O)c1cccc(Cl)c1
InChIInChI=1S/C14H18ClNO2/c1-14(2,10-4-3-5-11(15)6-10)9-16-8-12(17)7-13(16)18/h3-6,12,17H,7-9H2,1-2H3
InChIKeyOSVHFGDVNNRGKA-UHFFFAOYSA-N
XLogP2.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)-2-methylpropyl]-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-[2-(3-chlorophenyl)-2-methylpropyl]-4-hydroxypyrrolidin-2-one (CID 168701854) is 1-[2-(3-chlorophenyl)-2-methylpropyl]-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-[2-(3-chlorophenyl)-2-methylpropyl]-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-[2-(3-chlorophenyl)-2-methylpropyl]-4-hydroxypyrrolidin-2-one is CC(C)(CN1CC(O)CC1=O)c1cccc(Cl)c1.
What is the InChIKey of 1-[2-(3-chlorophenyl)-2-methylpropyl]-4-hydroxypyrrolidin-2-one?
The InChIKey is OSVHFGDVNNRGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-14(2,10-4-3-5-11(15)6-10)9-16-8-12(17)7-13(16)18/h3-6,12,17H,7-9H2,1-2H3.
What are the key properties of 1-[2-(3-chlorophenyl)-2-methylpropyl]-4-hydroxypyrrolidin-2-one?
1-[2-(3-chlorophenyl)-2-methylpropyl]-4-hydroxypyrrolidin-2-one has a molecular weight of 267.76 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)-2-methylpropyl]-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 168701854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).