3-benzyl-3-methylpyrrolidin-2-one

C12H15NO — CID 10420013

IUPAC3-benzyl-3-methylpyrrolidin-2-one
SMILESCC1(Cc2ccccc2)CCNC1=O
InChIInChI=1S/C12H15NO/c1-12(7-8-13-11(12)14)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,14)
InChIKeyTUHSXELEIUCENQ-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.76
Rot. Bonds2

About 3-benzyl-3-methylpyrrolidin-2-one

3-benzyl-3-methylpyrrolidin-2-one (PubChem CID 10420013) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-benzyl-3-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-benzyl-3-methylpyrrolidin-2-one
PubChem CID10420013
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name3-benzyl-3-methylpyrrolidin-2-one
SMILESCC1(Cc2ccccc2)CCNC1=O
InChIInChI=1S/C12H15NO/c1-12(7-8-13-11(12)14)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,14)
InChIKeyTUHSXELEIUCENQ-UHFFFAOYSA-N
XLogP1.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-3-methylpyrrolidin-2-one?
The IUPAC name of 3-benzyl-3-methylpyrrolidin-2-one (CID 10420013) is 3-benzyl-3-methylpyrrolidin-2-one.
What is the SMILES notation for 3-benzyl-3-methylpyrrolidin-2-one?
The canonical SMILES for 3-benzyl-3-methylpyrrolidin-2-one is CC1(Cc2ccccc2)CCNC1=O.
What is the InChIKey of 3-benzyl-3-methylpyrrolidin-2-one?
The InChIKey is TUHSXELEIUCENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-12(7-8-13-11(12)14)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,14).
What are the key properties of 3-benzyl-3-methylpyrrolidin-2-one?
3-benzyl-3-methylpyrrolidin-2-one has a molecular weight of 189.26 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-3-methylpyrrolidin-2-one is sourced from PubChem (CID 10420013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).