(Z)-4-amino-2-oxo-4-phenylbut-3-enamide

C10H10N2O2 — CID 164569875

IUPAC(Z)-4-amino-2-oxo-4-phenylbut-3-enamide
SMILESNC(=O)C(=O)/C=C(\N)c1ccccc1
InChIInChI=1S/C10H10N2O2/c11-8(6-9(13)10(12)14)7-4-2-1-3-5-7/h1-6H,11H2,(H2,12,14)/b8-6-
InChIKeyLLTSFVSDWQTIIQ-VURMDHGXSA-N
MW190.20 g/mol
LogP0.04
Rot. Bonds3

About (Z)-4-amino-2-oxo-4-phenylbut-3-enamide

(Z)-4-amino-2-oxo-4-phenylbut-3-enamide (PubChem CID 164569875) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is (Z)-4-amino-2-oxo-4-phenylbut-3-enamide.

Molecular Properties

Compound Name(Z)-4-amino-2-oxo-4-phenylbut-3-enamide
PubChem CID164569875
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name(Z)-4-amino-2-oxo-4-phenylbut-3-enamide
SMILESNC(=O)C(=O)/C=C(\N)c1ccccc1
InChIInChI=1S/C10H10N2O2/c11-8(6-9(13)10(12)14)7-4-2-1-3-5-7/h1-6H,11H2,(H2,12,14)/b8-6-
InChIKeyLLTSFVSDWQTIIQ-VURMDHGXSA-N
XLogP0.04
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-amino-2-oxo-4-phenylbut-3-enamide?
The IUPAC name of (Z)-4-amino-2-oxo-4-phenylbut-3-enamide (CID 164569875) is (Z)-4-amino-2-oxo-4-phenylbut-3-enamide.
What is the SMILES notation for (Z)-4-amino-2-oxo-4-phenylbut-3-enamide?
The canonical SMILES for (Z)-4-amino-2-oxo-4-phenylbut-3-enamide is NC(=O)C(=O)/C=C(\N)c1ccccc1.
What is the InChIKey of (Z)-4-amino-2-oxo-4-phenylbut-3-enamide?
The InChIKey is LLTSFVSDWQTIIQ-VURMDHGXSA-N. The full InChI is InChI=1S/C10H10N2O2/c11-8(6-9(13)10(12)14)7-4-2-1-3-5-7/h1-6H,11H2,(H2,12,14)/b8-6-.
What are the key properties of (Z)-4-amino-2-oxo-4-phenylbut-3-enamide?
(Z)-4-amino-2-oxo-4-phenylbut-3-enamide has a molecular weight of 190.20 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-amino-2-oxo-4-phenylbut-3-enamide is sourced from PubChem (CID 164569875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).