(E)-2-ethanimidoylpent-2-enenitrile

C7H10N2 — CID 123542289

IUPAC(E)-2-ethanimidoylpent-2-enenitrile
SMILES[H]/N=C(C)/C(C#N)=C\CC
InChIInChI=1S/C7H10N2/c1-3-4-7(5-8)6(2)9/h4,9H,3H2,1-2H3/b7-4-,9-6+
InChIKeySBCBNTDUIQCUEV-WCXGJSBASA-N
MW122.17 g/mol
LogP1.89
Rot. Bonds2

About (E)-2-ethanimidoylpent-2-enenitrile

(E)-2-ethanimidoylpent-2-enenitrile (PubChem CID 123542289) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is (E)-2-ethanimidoylpent-2-enenitrile.

Molecular Properties

Compound Name(E)-2-ethanimidoylpent-2-enenitrile
PubChem CID123542289
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name(E)-2-ethanimidoylpent-2-enenitrile
SMILES[H]/N=C(C)/C(C#N)=C\CC
InChIInChI=1S/C7H10N2/c1-3-4-7(5-8)6(2)9/h4,9H,3H2,1-2H3/b7-4-,9-6+
InChIKeySBCBNTDUIQCUEV-WCXGJSBASA-N
XLogP1.89
TPSA47.64 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-ethanimidoyl-3-fluorobut-2-enenitrile
CID 90862401
(E)-3-amino-2-ethanimidoylbut-2-enenitrile
CID 12974649
2,5-Diimino-4-methylcyclohexa-3,6-diene-1,3-dicarbonitrile
CID 21218269
3,6-Diiminocyclohexa-1,4-diene-1-carbonitrile
CID 90003161
(E)-4-imino-3-methylpent-2-enenitrile
CID 118054344
(E)-2-ethanimidoylbut-2-enenitrile
CID 118615628
2-Ethanimidoyl-3-methylbut-2-enenitrile
CID 123280745
3-Imino-5-methyl-2-propan-2-ylidenehex-4-enenitrile
CID 123602743
(2E)-2-ethylidene-3-iminopent-4-enenitrile
CID 123998682
(Z)-5-imino-4-methylhex-3-enenitrile
CID 124019379
(Z)-4-iminohex-2-enimidoyl cyanide
CID 134426295
(2E)-2-ethanimidoyl-3,4-dimethylpenta-2,4-dienenitrile
CID 135174417

Frequently Asked Questions

What is the IUPAC name of (E)-2-ethanimidoylpent-2-enenitrile?
The IUPAC name of (E)-2-ethanimidoylpent-2-enenitrile (CID 123542289) is (E)-2-ethanimidoylpent-2-enenitrile.
What is the SMILES notation for (E)-2-ethanimidoylpent-2-enenitrile?
The canonical SMILES for (E)-2-ethanimidoylpent-2-enenitrile is [H]/N=C(C)/C(C#N)=C\CC.
What is the InChIKey of (E)-2-ethanimidoylpent-2-enenitrile?
The InChIKey is SBCBNTDUIQCUEV-WCXGJSBASA-N. The full InChI is InChI=1S/C7H10N2/c1-3-4-7(5-8)6(2)9/h4,9H,3H2,1-2H3/b7-4-,9-6+.
What are the key properties of (E)-2-ethanimidoylpent-2-enenitrile?
(E)-2-ethanimidoylpent-2-enenitrile has a molecular weight of 122.17 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethanimidoylpent-2-enenitrile is sourced from PubChem (CID 123542289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).