3-(2-methylpropyl)-5-(2-phenylethyl)pyrrolidin-2-one

C16H23NO — CID 133106798

IUPAC3-(2-methylpropyl)-5-(2-phenylethyl)pyrrolidin-2-one
SMILESCC(C)CC1CC(CCc2ccccc2)NC1=O
InChIInChI=1S/C16H23NO/c1-12(2)10-14-11-15(17-16(14)18)9-8-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3,(H,17,18)
InChIKeyPWXNKJSSPSDBIF-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.17
Rot. Bonds5

About 3-(2-methylpropyl)-5-(2-phenylethyl)pyrrolidin-2-one

3-(2-methylpropyl)-5-(2-phenylethyl)pyrrolidin-2-one (PubChem CID 133106798) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-(2-methylpropyl)-5-(2-phenylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(2-methylpropyl)-5-(2-phenylethyl)pyrrolidin-2-one
PubChem CID133106798
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name3-(2-methylpropyl)-5-(2-phenylethyl)pyrrolidin-2-one
SMILESCC(C)CC1CC(CCc2ccccc2)NC1=O
InChIInChI=1S/C16H23NO/c1-12(2)10-14-11-15(17-16(14)18)9-8-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3,(H,17,18)
InChIKeyPWXNKJSSPSDBIF-UHFFFAOYSA-N
XLogP3.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-5-(2-phenylethyl)pyrrolidin-2-one?
The IUPAC name of 3-(2-methylpropyl)-5-(2-phenylethyl)pyrrolidin-2-one (CID 133106798) is 3-(2-methylpropyl)-5-(2-phenylethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(2-methylpropyl)-5-(2-phenylethyl)pyrrolidin-2-one?
The canonical SMILES for 3-(2-methylpropyl)-5-(2-phenylethyl)pyrrolidin-2-one is CC(C)CC1CC(CCc2ccccc2)NC1=O.
What is the InChIKey of 3-(2-methylpropyl)-5-(2-phenylethyl)pyrrolidin-2-one?
The InChIKey is PWXNKJSSPSDBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12(2)10-14-11-15(17-16(14)18)9-8-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3,(H,17,18).
What are the key properties of 3-(2-methylpropyl)-5-(2-phenylethyl)pyrrolidin-2-one?
3-(2-methylpropyl)-5-(2-phenylethyl)pyrrolidin-2-one has a molecular weight of 245.37 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-5-(2-phenylethyl)pyrrolidin-2-one is sourced from PubChem (CID 133106798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).