(E)-2-cyano-5-oxo-5-phenylpent-3-enamide

C12H10N2O2 — CID 102578752

IUPAC(E)-2-cyano-5-oxo-5-phenylpent-3-enamide
SMILESN#CC(/C=C/C(=O)c1ccccc1)C(N)=O
InChIInChI=1S/C12H10N2O2/c13-8-10(12(14)16)6-7-11(15)9-4-2-1-3-5-9/h1-7,10H,(H2,14,16)/b7-6+
InChIKeySOGWUOTVWJUINM-VOTSOKGWSA-N
MW214.22 g/mol
LogP1.05
Rot. Bonds4

About (E)-2-cyano-5-oxo-5-phenylpent-3-enamide

(E)-2-cyano-5-oxo-5-phenylpent-3-enamide (PubChem CID 102578752) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is (E)-2-cyano-5-oxo-5-phenylpent-3-enamide.

Molecular Properties

Compound Name(E)-2-cyano-5-oxo-5-phenylpent-3-enamide
PubChem CID102578752
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name(E)-2-cyano-5-oxo-5-phenylpent-3-enamide
SMILESN#CC(/C=C/C(=O)c1ccccc1)C(N)=O
InChIInChI=1S/C12H10N2O2/c13-8-10(12(14)16)6-7-11(15)9-4-2-1-3-5-9/h1-7,10H,(H2,14,16)/b7-6+
InChIKeySOGWUOTVWJUINM-VOTSOKGWSA-N
XLogP1.05
TPSA83.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dimethyl 2-[(E)-3-oxo-3-phenylprop-1-enyl]propanedioate
CID 102177491
(E)-8-oxo-8-phenyloct-6-enenitrile
CID 11321833
λ2-plumbane;4-oxo-4-phenylbut-2-enoic acid
CID 173413891
phenacylidenetungsten
CID 139264471
2-[[4-[(2-cyano-3-oxo-3-phenylpropylidene)amino]phenyl]iminomethyl]-3-oxo-3-phenylpropanenitrile
CID 102482821
(Z)-3-amino-1,3-diphenylprop-2-en-1-one
CID 5376383
(E)-3-amino-2-cyano-3-phenylprop-2-enoic acid
CID 66601927
benzamide;hydron
CID 68819060
(E)-1,4-diphenylhept-2-ene-1,6-dione
CID 12655089
(2E)-1-phenylpenta-2,4-dien-1-one
CID 11019140
(E)-3-[4-[(E)-2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]ethenyl]phenyl]-1-phenylprop-2-en-1-one
CID 102135410
2,3,5,6-tetrafluoro-4-[(E)-3-oxo-3-phenylprop-1-enyl]benzonitrile
CID 135025586

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-5-oxo-5-phenylpent-3-enamide?
The IUPAC name of (E)-2-cyano-5-oxo-5-phenylpent-3-enamide (CID 102578752) is (E)-2-cyano-5-oxo-5-phenylpent-3-enamide.
What is the SMILES notation for (E)-2-cyano-5-oxo-5-phenylpent-3-enamide?
The canonical SMILES for (E)-2-cyano-5-oxo-5-phenylpent-3-enamide is N#CC(/C=C/C(=O)c1ccccc1)C(N)=O.
What is the InChIKey of (E)-2-cyano-5-oxo-5-phenylpent-3-enamide?
The InChIKey is SOGWUOTVWJUINM-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H10N2O2/c13-8-10(12(14)16)6-7-11(15)9-4-2-1-3-5-9/h1-7,10H,(H2,14,16)/b7-6+.
What are the key properties of (E)-2-cyano-5-oxo-5-phenylpent-3-enamide?
(E)-2-cyano-5-oxo-5-phenylpent-3-enamide has a molecular weight of 214.22 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-5-oxo-5-phenylpent-3-enamide is sourced from PubChem (CID 102578752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).