(Z)-5-imino-2-methylidenehex-3-enal

C7H9NO — CID 142197495

IUPAC(Z)-5-imino-2-methylidenehex-3-enal
SMILES[H]/N=C(C)/C=C\C(=C)C=O
InChIInChI=1S/C7H9NO/c1-6(5-9)3-4-7(2)8/h3-5,8H,1H2,2H3/b4-3-,8-7+
InChIKeyBDOGMRHDHYBGDH-ODYTWBPASA-N
MW123.15 g/mol
LogP1.34
Rot. Bonds3

About (Z)-5-imino-2-methylidenehex-3-enal

(Z)-5-imino-2-methylidenehex-3-enal (PubChem CID 142197495) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is (Z)-5-imino-2-methylidenehex-3-enal.

Molecular Properties

Compound Name(Z)-5-imino-2-methylidenehex-3-enal
PubChem CID142197495
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name(Z)-5-imino-2-methylidenehex-3-enal
SMILES[H]/N=C(C)/C=C\C(=C)C=O
InChIInChI=1S/C7H9NO/c1-6(5-9)3-4-7(2)8/h3-5,8H,1H2,2H3/b4-3-,8-7+
InChIKeyBDOGMRHDHYBGDH-ODYTWBPASA-N
XLogP1.34
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

(E)-4-fluoro-5-imino-2-propan-2-ylidenehex-3-enal
CID 153376162
(Z)-4-iminopent-2-enal
CID 143260720
(2E,4E)-2-ethanimidoyl-4-fluorohexa-2,4-dienal
CID 168203233
(E)-4-imino-2-methylpent-2-enal
CID 89139086
(E)-2-ethanimidoylbut-2-enal
CID 91129706
(Z,2E)-2-(2-iminoethylidene)pent-3-enal
CID 122549879
(Z)-2-iminopent-3-enal
CID 123377450
(3Z)-7-ethanimidoyl-8-methyl-2,5,6-trimethylidenenona-3,7-dienal
CID 123708822
2-Iminopent-3-enal
CID 142606621
6-Iminoocta-2,4-dienal
CID 142648191
ethane;(3E,5E,8Z)-6-ethenyl-7-imino-3-methyldeca-3,5,8-trienal
CID 144947771
(Z)-5-imino-4-methyl-2-propan-2-ylidenehex-3-enal
CID 146288742

Frequently Asked Questions

What is the IUPAC name of (Z)-5-imino-2-methylidenehex-3-enal?
The IUPAC name of (Z)-5-imino-2-methylidenehex-3-enal (CID 142197495) is (Z)-5-imino-2-methylidenehex-3-enal.
What is the SMILES notation for (Z)-5-imino-2-methylidenehex-3-enal?
The canonical SMILES for (Z)-5-imino-2-methylidenehex-3-enal is [H]/N=C(C)/C=C\C(=C)C=O.
What is the InChIKey of (Z)-5-imino-2-methylidenehex-3-enal?
The InChIKey is BDOGMRHDHYBGDH-ODYTWBPASA-N. The full InChI is InChI=1S/C7H9NO/c1-6(5-9)3-4-7(2)8/h3-5,8H,1H2,2H3/b4-3-,8-7+.
What are the key properties of (Z)-5-imino-2-methylidenehex-3-enal?
(Z)-5-imino-2-methylidenehex-3-enal has a molecular weight of 123.15 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-imino-2-methylidenehex-3-enal is sourced from PubChem (CID 142197495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).