(2E,4Z)-2-methanimidoylhexa-2,4-dienamide

C7H10N2O — CID 121440639

IUPAC(2E,4Z)-2-methanimidoylhexa-2,4-dienamide
SMILES[H]/N=C/C(=C\C=C/C)C(N)=O
InChIInChI=1S/C7H10N2O/c1-2-3-4-6(5-8)7(9)10/h2-5,8H,1H3,(H2,9,10)/b3-2-,6-4+,8-5+
InChIKeyYHPJKXSDJFCJKQ-PDDMAJEVSA-N
MW138.17 g/mol
LogP0.62
Rot. Bonds3

About (2E,4Z)-2-methanimidoylhexa-2,4-dienamide

(2E,4Z)-2-methanimidoylhexa-2,4-dienamide (PubChem CID 121440639) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is (2E,4Z)-2-methanimidoylhexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4Z)-2-methanimidoylhexa-2,4-dienamide
PubChem CID121440639
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name(2E,4Z)-2-methanimidoylhexa-2,4-dienamide
SMILES[H]/N=C/C(=C\C=C/C)C(N)=O
InChIInChI=1S/C7H10N2O/c1-2-3-4-6(5-8)7(9)10/h2-5,8H,1H3,(H2,9,10)/b3-2-,6-4+,8-5+
InChIKeyYHPJKXSDJFCJKQ-PDDMAJEVSA-N
XLogP0.62
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.62
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

CID 88863732
CID 88863732
CID 89898463
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CID 118220420
CID 118220420
CID 123236135
CID 123236135
CID 123394024
CID 123394024
CID 131980246
CID 131980246
CID 134233344
CID 134233344
CID 139501965
CID 139501965
CID 141039340
CID 141039340
CID 141781823
CID 141781823
CID 141812794
CID 141812794
CID 142191621
CID 142191621

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-2-methanimidoylhexa-2,4-dienamide?
The IUPAC name of (2E,4Z)-2-methanimidoylhexa-2,4-dienamide (CID 121440639) is (2E,4Z)-2-methanimidoylhexa-2,4-dienamide.
What is the SMILES notation for (2E,4Z)-2-methanimidoylhexa-2,4-dienamide?
The canonical SMILES for (2E,4Z)-2-methanimidoylhexa-2,4-dienamide is [H]/N=C/C(=C\C=C/C)C(N)=O.
What is the InChIKey of (2E,4Z)-2-methanimidoylhexa-2,4-dienamide?
The InChIKey is YHPJKXSDJFCJKQ-PDDMAJEVSA-N. The full InChI is InChI=1S/C7H10N2O/c1-2-3-4-6(5-8)7(9)10/h2-5,8H,1H3,(H2,9,10)/b3-2-,6-4+,8-5+.
What are the key properties of (2E,4Z)-2-methanimidoylhexa-2,4-dienamide?
(2E,4Z)-2-methanimidoylhexa-2,4-dienamide has a molecular weight of 138.17 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-2-methanimidoylhexa-2,4-dienamide is sourced from PubChem (CID 121440639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).