(E)-2-ethanimidoylpent-2-enamide

C7H12N2O — CID 123461047

IUPAC(E)-2-ethanimidoylpent-2-enamide
SMILES[H]/N=C(C)/C(=C\CC)C(N)=O
InChIInChI=1S/C7H12N2O/c1-3-4-6(5(2)8)7(9)10/h4,8H,3H2,1-2H3,(H2,9,10)/b6-4+,8-5+
InChIKeyKDLGHNJRYLHKRA-HLQBBKRNSA-N
MW140.19 g/mol
LogP0.85
Rot. Bonds3

About (E)-2-ethanimidoylpent-2-enamide

(E)-2-ethanimidoylpent-2-enamide (PubChem CID 123461047) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is (E)-2-ethanimidoylpent-2-enamide.

Molecular Properties

Compound Name(E)-2-ethanimidoylpent-2-enamide
PubChem CID123461047
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name(E)-2-ethanimidoylpent-2-enamide
SMILES[H]/N=C(C)/C(=C\CC)C(N)=O
InChIInChI=1S/C7H12N2O/c1-3-4-6(5(2)8)7(9)10/h4,8H,3H2,1-2H3,(H2,9,10)/b6-4+,8-5+
InChIKeyKDLGHNJRYLHKRA-HLQBBKRNSA-N
XLogP0.85
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-ethanimidoyl-4-fluoropenta-2,4-dienamide
CID 123637841
2-(Fluoromethyl)-5-iminohex-2-enamide
CID 123968663
(E)-4-imino-2-(trifluoromethyl)hex-2-enamide
CID 171493586
(4E)-4-ethylidene-3-methyl-1H-pyrazol-5-one
CID 12451774
(Z)-2,5-diimino-3-methylhex-3-enamide
CID 57781663
5-methyl-2H-pyrrole-4-carboxamide
CID 58369287
2,5-Diimino-3-methylhex-3-enamide
CID 76603913
(Z,2E)-2-ethylidene-3-iminohex-4-enamide
CID 90756731
2-(2-Bromoethyl)-4-iminohex-2-enamide
CID 123332235
(2E)-2-ethylidene-3-iminopent-4-enamide
CID 123362408
2-Ethanimidoyl-4-imino-3-methylbut-2-enamide
CID 123523163
(2E)-4-cyano-2-ethanimidoylpenta-2,4-dienamide
CID 123649043

Frequently Asked Questions

What is the IUPAC name of (E)-2-ethanimidoylpent-2-enamide?
The IUPAC name of (E)-2-ethanimidoylpent-2-enamide (CID 123461047) is (E)-2-ethanimidoylpent-2-enamide.
What is the SMILES notation for (E)-2-ethanimidoylpent-2-enamide?
The canonical SMILES for (E)-2-ethanimidoylpent-2-enamide is [H]/N=C(C)/C(=C\CC)C(N)=O.
What is the InChIKey of (E)-2-ethanimidoylpent-2-enamide?
The InChIKey is KDLGHNJRYLHKRA-HLQBBKRNSA-N. The full InChI is InChI=1S/C7H12N2O/c1-3-4-6(5(2)8)7(9)10/h4,8H,3H2,1-2H3,(H2,9,10)/b6-4+,8-5+.
What are the key properties of (E)-2-ethanimidoylpent-2-enamide?
(E)-2-ethanimidoylpent-2-enamide has a molecular weight of 140.19 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethanimidoylpent-2-enamide is sourced from PubChem (CID 123461047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).