1-benzyl-5-methyl-3-methylidenepyrrolidin-2-one

C13H15NO — CID 19068314

IUPAC1-benzyl-5-methyl-3-methylidenepyrrolidin-2-one
SMILESC=C1CC(C)N(Cc2ccccc2)C1=O
InChIInChI=1S/C13H15NO/c1-10-8-11(2)14(13(10)15)9-12-6-4-3-5-7-12/h3-7,11H,1,8-9H2,2H3
InChIKeyAHRFZIUBDWXBKS-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.36
Rot. Bonds2

About 1-benzyl-5-methyl-3-methylidenepyrrolidin-2-one

1-benzyl-5-methyl-3-methylidenepyrrolidin-2-one (PubChem CID 19068314) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-benzyl-5-methyl-3-methylidenepyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-5-methyl-3-methylidenepyrrolidin-2-one
PubChem CID19068314
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name1-benzyl-5-methyl-3-methylidenepyrrolidin-2-one
SMILESC=C1CC(C)N(Cc2ccccc2)C1=O
InChIInChI=1S/C13H15NO/c1-10-8-11(2)14(13(10)15)9-12-6-4-3-5-7-12/h3-7,11H,1,8-9H2,2H3
InChIKeyAHRFZIUBDWXBKS-UHFFFAOYSA-N
XLogP2.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 1-benzyl-4-methylidene-5-oxopyrrolidine-2-carboxylate
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(3R,4S,6R)-1-benzyl-4-hydroxy-3,6-dimethylpiperidin-2-one
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4-benzyl-2,5-dimethylmorpholin-3-one
CID 123662409
(3S,5R)-1-benzyl-5-methyl-3-phenylpyrrolidin-2-one
CID 102599255
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CID 59730616
1-benzyl-2-methyl-2,3-dihydroindol-4-ol
CID 70918044
1-benzyl-4-phenylazetidin-2-one;ethane
CID 91301101
(3R)-2-benzyl-3-methyl-1,2-oxazolidin-5-one
CID 13358936
1-benzyl-3-cyclohexyl-7-methyl-1,4-diazepane-2,5-dione
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CID 86091539
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CID 15624083

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-methyl-3-methylidenepyrrolidin-2-one?
The IUPAC name of 1-benzyl-5-methyl-3-methylidenepyrrolidin-2-one (CID 19068314) is 1-benzyl-5-methyl-3-methylidenepyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-5-methyl-3-methylidenepyrrolidin-2-one?
The canonical SMILES for 1-benzyl-5-methyl-3-methylidenepyrrolidin-2-one is C=C1CC(C)N(Cc2ccccc2)C1=O.
What is the InChIKey of 1-benzyl-5-methyl-3-methylidenepyrrolidin-2-one?
The InChIKey is AHRFZIUBDWXBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-10-8-11(2)14(13(10)15)9-12-6-4-3-5-7-12/h3-7,11H,1,8-9H2,2H3.
What are the key properties of 1-benzyl-5-methyl-3-methylidenepyrrolidin-2-one?
1-benzyl-5-methyl-3-methylidenepyrrolidin-2-one has a molecular weight of 201.27 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-methyl-3-methylidenepyrrolidin-2-one is sourced from PubChem (CID 19068314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).