2-methylidene-4-oxo-6-phenylhex-5-enamide

C13H13NO2 — CID 141273751

IUPAC2-methylidene-4-oxo-6-phenylhex-5-enamide
SMILESC=C(CC(=O)C=Cc1ccccc1)C(N)=O
InChIInChI=1S/C13H13NO2/c1-10(13(14)16)9-12(15)8-7-11-5-3-2-4-6-11/h2-8H,1,9H2,(H2,14,16)
InChIKeyFJEIWOWIBNWRCU-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.70
Rot. Bonds5

About 2-methylidene-4-oxo-6-phenylhex-5-enamide

2-methylidene-4-oxo-6-phenylhex-5-enamide (PubChem CID 141273751) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-methylidene-4-oxo-6-phenylhex-5-enamide.

Molecular Properties

Compound Name2-methylidene-4-oxo-6-phenylhex-5-enamide
PubChem CID141273751
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name2-methylidene-4-oxo-6-phenylhex-5-enamide
SMILESC=C(CC(=O)C=Cc1ccccc1)C(N)=O
InChIInChI=1S/C13H13NO2/c1-10(13(14)16)9-12(15)8-7-11-5-3-2-4-6-11/h2-8H,1,9H2,(H2,14,16)
InChIKeyFJEIWOWIBNWRCU-UHFFFAOYSA-N
XLogP1.70
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-2,4-dioxo-6-phenylhex-5-enal
CID 144721272
2,4-dioxo-6-phenylhex-5-enoic acid
CID 54380615
6,6-dimethyl-1-phenylhept-1-ene-3,5-dione
CID 54280187
2-methylidene-6-oxo-8-phenyloct-7-enoic acid
CID 54019623
ethyl (E)-2,4-dioxo-6-phenylhex-5-enoate
CID 5374346
methyl (E)-2-hydroxy-4-oxo-6-phenylhex-5-enoate
CID 11107258
ethyl (E)-3,5-dioxo-7-phenylhept-6-enoate
CID 14222370
(E)-3-phenylprop-2-enamide;prop-2-enamide
CID 66955302
4-hydroxy-2-methylidenebutanamide;4-phenylbut-3-en-1-ol
CID 175582028
[(E)-3-phenylprop-2-enoyl]carbamic acid
CID 140993183
(E,2Z)-N-hydroxy-2-hydroxyimino-4-oxo-6-phenylhex-5-enamide
CID 6412150
2-methylidene-4-(3-phenylprop-2-enoyloxy)butanoic acid
CID 57040443

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-4-oxo-6-phenylhex-5-enamide?
The IUPAC name of 2-methylidene-4-oxo-6-phenylhex-5-enamide (CID 141273751) is 2-methylidene-4-oxo-6-phenylhex-5-enamide.
What is the SMILES notation for 2-methylidene-4-oxo-6-phenylhex-5-enamide?
The canonical SMILES for 2-methylidene-4-oxo-6-phenylhex-5-enamide is C=C(CC(=O)C=Cc1ccccc1)C(N)=O.
What is the InChIKey of 2-methylidene-4-oxo-6-phenylhex-5-enamide?
The InChIKey is FJEIWOWIBNWRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-10(13(14)16)9-12(15)8-7-11-5-3-2-4-6-11/h2-8H,1,9H2,(H2,14,16).
What are the key properties of 2-methylidene-4-oxo-6-phenylhex-5-enamide?
2-methylidene-4-oxo-6-phenylhex-5-enamide has a molecular weight of 215.25 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-4-oxo-6-phenylhex-5-enamide is sourced from PubChem (CID 141273751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).