(3E)-1-methyl-3-[(E)-3-phenylprop-2-enylidene]pyrrolidin-2-one

C14H15NO — CID 23651634

IUPAC(3E)-1-methyl-3-[(E)-3-phenylprop-2-enylidene]pyrrolidin-2-one
SMILESCN1CC/C(=C\C=C\c2ccccc2)C1=O
InChIInChI=1S/C14H15NO/c1-15-11-10-13(14(15)16)9-5-8-12-6-3-2-4-7-12/h2-9H,10-11H2,1H3/b8-5+,13-9+
InChIKeyIMLIVYFBDAAQFM-BHHNFLQBSA-N
MW213.28 g/mol
LogP2.49
Rot. Bonds2

About (3E)-1-methyl-3-[(E)-3-phenylprop-2-enylidene]pyrrolidin-2-one

(3E)-1-methyl-3-[(E)-3-phenylprop-2-enylidene]pyrrolidin-2-one (PubChem CID 23651634) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is (3E)-1-methyl-3-[(E)-3-phenylprop-2-enylidene]pyrrolidin-2-one.

Molecular Properties

Compound Name(3E)-1-methyl-3-[(E)-3-phenylprop-2-enylidene]pyrrolidin-2-one
PubChem CID23651634
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name(3E)-1-methyl-3-[(E)-3-phenylprop-2-enylidene]pyrrolidin-2-one
SMILESCN1CC/C(=C\C=C\c2ccccc2)C1=O
InChIInChI=1S/C14H15NO/c1-15-11-10-13(14(15)16)9-5-8-12-6-3-2-4-7-12/h2-9H,10-11H2,1H3/b8-5+,13-9+
InChIKeyIMLIVYFBDAAQFM-BHHNFLQBSA-N
XLogP2.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.49
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 (3E)-1-methyl-3-[(E)-3-phenylprop-2-enylidene]pyrrolidin-2-one?
The IUPAC name of (3E)-1-methyl-3-[(E)-3-phenylprop-2-enylidene]pyrrolidin-2-one (CID 23651634) is (3E)-1-methyl-3-[(E)-3-phenylprop-2-enylidene]pyrrolidin-2-one.
What is the SMILES notation for (3E)-1-methyl-3-[(E)-3-phenylprop-2-enylidene]pyrrolidin-2-one?
The canonical SMILES for (3E)-1-methyl-3-[(E)-3-phenylprop-2-enylidene]pyrrolidin-2-one is CN1CC/C(=C\C=C\c2ccccc2)C1=O.
What is the InChIKey of (3E)-1-methyl-3-[(E)-3-phenylprop-2-enylidene]pyrrolidin-2-one?
The InChIKey is IMLIVYFBDAAQFM-BHHNFLQBSA-N. The full InChI is InChI=1S/C14H15NO/c1-15-11-10-13(14(15)16)9-5-8-12-6-3-2-4-7-12/h2-9H,10-11H2,1H3/b8-5+,13-9+.
What are the key properties of (3E)-1-methyl-3-[(E)-3-phenylprop-2-enylidene]pyrrolidin-2-one?
(3E)-1-methyl-3-[(E)-3-phenylprop-2-enylidene]pyrrolidin-2-one has a molecular weight of 213.28 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-methyl-3-[(E)-3-phenylprop-2-enylidene]pyrrolidin-2-one is sourced from PubChem (CID 23651634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).