(Z,2E)-2-ethylidene-5-methyliminopent-3-enamide

C8H12N2O — CID 118070568

IUPAC(Z,2E)-2-ethylidene-5-methyliminopent-3-enamide
SMILESC/C=C(\C=C/C=N/C)C(N)=O
InChIInChI=1S/C8H12N2O/c1-3-7(8(9)11)5-4-6-10-2/h3-6H,1-2H3,(H2,9,11)/b5-4-,7-3+,10-6+
InChIKeyOAYMDEHRTYENHU-WOCIZMJASA-N
MW152.20 g/mol
LogP0.67
Rot. Bonds3

About (Z,2E)-2-ethylidene-5-methyliminopent-3-enamide

(Z,2E)-2-ethylidene-5-methyliminopent-3-enamide (PubChem CID 118070568) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is (Z,2E)-2-ethylidene-5-methyliminopent-3-enamide.

Molecular Properties

Compound Name(Z,2E)-2-ethylidene-5-methyliminopent-3-enamide
PubChem CID118070568
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name(Z,2E)-2-ethylidene-5-methyliminopent-3-enamide
SMILESC/C=C(\C=C/C=N/C)C(N)=O
InChIInChI=1S/C8H12N2O/c1-3-7(8(9)11)5-4-6-10-2/h3-6H,1-2H3,(H2,9,11)/b5-4-,7-3+,10-6+
InChIKeyOAYMDEHRTYENHU-WOCIZMJASA-N
XLogP0.67
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z,2E)-2-ethylidene-5-methyliminopent-3-enamide?
The IUPAC name of (Z,2E)-2-ethylidene-5-methyliminopent-3-enamide (CID 118070568) is (Z,2E)-2-ethylidene-5-methyliminopent-3-enamide.
What is the SMILES notation for (Z,2E)-2-ethylidene-5-methyliminopent-3-enamide?
The canonical SMILES for (Z,2E)-2-ethylidene-5-methyliminopent-3-enamide is C/C=C(\C=C/C=N/C)C(N)=O.
What is the InChIKey of (Z,2E)-2-ethylidene-5-methyliminopent-3-enamide?
The InChIKey is OAYMDEHRTYENHU-WOCIZMJASA-N. The full InChI is InChI=1S/C8H12N2O/c1-3-7(8(9)11)5-4-6-10-2/h3-6H,1-2H3,(H2,9,11)/b5-4-,7-3+,10-6+.
What are the key properties of (Z,2E)-2-ethylidene-5-methyliminopent-3-enamide?
(Z,2E)-2-ethylidene-5-methyliminopent-3-enamide has a molecular weight of 152.20 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-2-ethylidene-5-methyliminopent-3-enamide is sourced from PubChem (CID 118070568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).