(3Z)-7-ethanimidoyl-8-methyl-2,5,6-trimethylidenenona-3,7-dienal

C15H19NO — CID 123708822

IUPAC(3Z)-7-ethanimidoyl-8-methyl-2,5,6-trimethylidenenona-3,7-dienal
SMILES[H]/N=C(\C)C(C(=C)C(=C)/C=C\C(=C)C=O)=C(C)C
InChIInChI=1S/C15H19NO/c1-10(2)15(14(6)16)13(5)12(4)8-7-11(3)9-17/h7-9,16H,3-5H2,1-2,6H3/b8-7-,16-14+
InChIKeyLBVUYMOWBQHUNN-VDQOBTTFSA-N
MW229.32 g/mol
LogP3.79
Rot. Bonds6

About (3Z)-7-ethanimidoyl-8-methyl-2,5,6-trimethylidenenona-3,7-dienal

(3Z)-7-ethanimidoyl-8-methyl-2,5,6-trimethylidenenona-3,7-dienal (PubChem CID 123708822) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (3Z)-7-ethanimidoyl-8-methyl-2,5,6-trimethylidenenona-3,7-dienal.

Molecular Properties

Compound Name(3Z)-7-ethanimidoyl-8-methyl-2,5,6-trimethylidenenona-3,7-dienal
PubChem CID123708822
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(3Z)-7-ethanimidoyl-8-methyl-2,5,6-trimethylidenenona-3,7-dienal
SMILES[H]/N=C(\C)C(C(=C)C(=C)/C=C\C(=C)C=O)=C(C)C
InChIInChI=1S/C15H19NO/c1-10(2)15(14(6)16)13(5)12(4)8-7-11(3)9-17/h7-9,16H,3-5H2,1-2,6H3/b8-7-,16-14+
InChIKeyLBVUYMOWBQHUNN-VDQOBTTFSA-N
XLogP3.79
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.79
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

(7E)-9-imino-7-methyl-4,6-dimethylidenedeca-2,7-dien-5-one
CID 123368774
2-(6-Iminocyclohex-2-en-1-ylidene)acetaldehyde
CID 123734872
2-[(1E)-1-(6-iminocyclohexa-2,4-dien-1-ylidene)ethyl]pentanal
CID 132135252
(Z)-5-imino-2-methylidenehex-3-enal
CID 142197495
6-Iminoocta-2,4-dienal
CID 142648191
ethane;(2E,4E,5Z)-5-ethanimidoyl-2-ethyl-4-ethylidenehepta-2,5-dienal
CID 142806084
5-Imino-6-methylidenecyclohexa-1,3-diene-1-carbaldehyde
CID 142986425
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
(Z)-5-imino-2-propan-2-ylidenehex-3-enal
CID 146288744
(Z)-5-imino-9-methyl-2-propan-2-ylidenedec-3-enal
CID 146288765
(Z,2E)-2-ethylidene-5-imino-3-methylhex-3-enal
CID 146288826

Frequently Asked Questions

What is the IUPAC name of (3Z)-7-ethanimidoyl-8-methyl-2,5,6-trimethylidenenona-3,7-dienal?
The IUPAC name of (3Z)-7-ethanimidoyl-8-methyl-2,5,6-trimethylidenenona-3,7-dienal (CID 123708822) is (3Z)-7-ethanimidoyl-8-methyl-2,5,6-trimethylidenenona-3,7-dienal.
What is the SMILES notation for (3Z)-7-ethanimidoyl-8-methyl-2,5,6-trimethylidenenona-3,7-dienal?
The canonical SMILES for (3Z)-7-ethanimidoyl-8-methyl-2,5,6-trimethylidenenona-3,7-dienal is [H]/N=C(\C)C(C(=C)C(=C)/C=C\C(=C)C=O)=C(C)C.
What is the InChIKey of (3Z)-7-ethanimidoyl-8-methyl-2,5,6-trimethylidenenona-3,7-dienal?
The InChIKey is LBVUYMOWBQHUNN-VDQOBTTFSA-N. The full InChI is InChI=1S/C15H19NO/c1-10(2)15(14(6)16)13(5)12(4)8-7-11(3)9-17/h7-9,16H,3-5H2,1-2,6H3/b8-7-,16-14+.
What are the key properties of (3Z)-7-ethanimidoyl-8-methyl-2,5,6-trimethylidenenona-3,7-dienal?
(3Z)-7-ethanimidoyl-8-methyl-2,5,6-trimethylidenenona-3,7-dienal has a molecular weight of 229.32 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-7-ethanimidoyl-8-methyl-2,5,6-trimethylidenenona-3,7-dienal is sourced from PubChem (CID 123708822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).