(3Z)-3-benzylidene-1,4-dimethyl-5-methylidenepyrrolidin-2-one

C14H15NO — CID 89433414

IUPAC(3Z)-3-benzylidene-1,4-dimethyl-5-methylidenepyrrolidin-2-one
SMILESC=C1C(C)/C(=C/c2ccccc2)C(=O)N1C
InChIInChI=1S/C14H15NO/c1-10-11(2)15(3)14(16)13(10)9-12-7-5-4-6-8-12/h4-10H,2H2,1,3H3/b13-9-
InChIKeyFATLYXAEIRRGJL-LCYFTJDESA-N
MW213.28 g/mol
LogP2.69
Rot. Bonds1

About (3Z)-3-benzylidene-1,4-dimethyl-5-methylidenepyrrolidin-2-one

(3Z)-3-benzylidene-1,4-dimethyl-5-methylidenepyrrolidin-2-one (PubChem CID 89433414) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is (3Z)-3-benzylidene-1,4-dimethyl-5-methylidenepyrrolidin-2-one.

Molecular Properties

Compound Name(3Z)-3-benzylidene-1,4-dimethyl-5-methylidenepyrrolidin-2-one
PubChem CID89433414
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name(3Z)-3-benzylidene-1,4-dimethyl-5-methylidenepyrrolidin-2-one
SMILESC=C1C(C)/C(=C/c2ccccc2)C(=O)N1C
InChIInChI=1S/C14H15NO/c1-10-11(2)15(3)14(16)13(10)9-12-7-5-4-6-8-12/h4-10H,2H2,1,3H3/b13-9-
InChIKeyFATLYXAEIRRGJL-LCYFTJDESA-N
XLogP2.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.69
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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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-benzylidene-1,4-dimethyl-5-methylidenepyrrolidin-2-one?
The IUPAC name of (3Z)-3-benzylidene-1,4-dimethyl-5-methylidenepyrrolidin-2-one (CID 89433414) is (3Z)-3-benzylidene-1,4-dimethyl-5-methylidenepyrrolidin-2-one.
What is the SMILES notation for (3Z)-3-benzylidene-1,4-dimethyl-5-methylidenepyrrolidin-2-one?
The canonical SMILES for (3Z)-3-benzylidene-1,4-dimethyl-5-methylidenepyrrolidin-2-one is C=C1C(C)/C(=C/c2ccccc2)C(=O)N1C.
What is the InChIKey of (3Z)-3-benzylidene-1,4-dimethyl-5-methylidenepyrrolidin-2-one?
The InChIKey is FATLYXAEIRRGJL-LCYFTJDESA-N. The full InChI is InChI=1S/C14H15NO/c1-10-11(2)15(3)14(16)13(10)9-12-7-5-4-6-8-12/h4-10H,2H2,1,3H3/b13-9-.
What are the key properties of (3Z)-3-benzylidene-1,4-dimethyl-5-methylidenepyrrolidin-2-one?
(3Z)-3-benzylidene-1,4-dimethyl-5-methylidenepyrrolidin-2-one has a molecular weight of 213.28 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-benzylidene-1,4-dimethyl-5-methylidenepyrrolidin-2-one is sourced from PubChem (CID 89433414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).