(3Z,5E)-5-ethylidene-8-methyl-6-methyliminonona-3,7-dienal

C13H19NO — CID 142857928

IUPAC(3Z,5E)-5-ethylidene-8-methyl-6-methyliminonona-3,7-dienal
SMILESC/C=C(\C=C/CC=O)C(/C=C(C)C)=N/C
InChIInChI=1S/C13H19NO/c1-5-12(8-6-7-9-15)13(14-4)10-11(2)3/h5-6,8-10H,7H2,1-4H3/b8-6-,12-5+,14-13+
InChIKeyFIYIPPBVUBWKKD-XNJJZIGVSA-N
MW205.30 g/mol
LogP3.11
Rot. Bonds5

About (3Z,5E)-5-ethylidene-8-methyl-6-methyliminonona-3,7-dienal

(3Z,5E)-5-ethylidene-8-methyl-6-methyliminonona-3,7-dienal (PubChem CID 142857928) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (3Z,5E)-5-ethylidene-8-methyl-6-methyliminonona-3,7-dienal.

Molecular Properties

Compound Name(3Z,5E)-5-ethylidene-8-methyl-6-methyliminonona-3,7-dienal
PubChem CID142857928
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(3Z,5E)-5-ethylidene-8-methyl-6-methyliminonona-3,7-dienal
SMILESC/C=C(\C=C/CC=O)C(/C=C(C)C)=N/C
InChIInChI=1S/C13H19NO/c1-5-12(8-6-7-9-15)13(14-4)10-11(2)3/h5-6,8-10H,7H2,1-4H3/b8-6-,12-5+,14-13+
InChIKeyFIYIPPBVUBWKKD-XNJJZIGVSA-N
XLogP3.11
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3E)-2-methylimino-4-(trifluoromethyl)hexa-3,5-dienal
CID 153396831
4-Methyl-2-methyliminopent-3-enal
CID 87414246
2-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]iminobut-3-enal
CID 88949195
(Z)-3-ethenyl-5-methyliminopent-3-enal
CID 88961130
3-(4-Ethyliminocyclohexa-1,5-dien-1-yl)prop-2-enal
CID 91243948
(3E)-4-methanimidoyl-2-methyliminohexa-3,5-dienal
CID 143189898
2H-1-benzazepine-2-carbaldehyde
CID 143720149
(4Z,8Z,11Z)-12-amino-11-methyl-3,6,7,10-tetramethylidene-13-methyliminotetradeca-4,8,11-trienal;methane
CID 144533575
ethane;(3E,5E,8Z)-6-ethenyl-7-imino-3-methyldeca-3,5,8-trienal
CID 144947771
ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridine-2-carbaldehyde;methane
CID 162444125
(E)-2-ethenyl-3-methyl-4-methyliminopent-2-enal
CID 163681613
(3E,5Z)-2-imino-5-(2-propyliminoethyl)hepta-3,5-dienal
CID 163692159

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-5-ethylidene-8-methyl-6-methyliminonona-3,7-dienal?
The IUPAC name of (3Z,5E)-5-ethylidene-8-methyl-6-methyliminonona-3,7-dienal (CID 142857928) is (3Z,5E)-5-ethylidene-8-methyl-6-methyliminonona-3,7-dienal.
What is the SMILES notation for (3Z,5E)-5-ethylidene-8-methyl-6-methyliminonona-3,7-dienal?
The canonical SMILES for (3Z,5E)-5-ethylidene-8-methyl-6-methyliminonona-3,7-dienal is C/C=C(\C=C/CC=O)C(/C=C(C)C)=N/C.
What is the InChIKey of (3Z,5E)-5-ethylidene-8-methyl-6-methyliminonona-3,7-dienal?
The InChIKey is FIYIPPBVUBWKKD-XNJJZIGVSA-N. The full InChI is InChI=1S/C13H19NO/c1-5-12(8-6-7-9-15)13(14-4)10-11(2)3/h5-6,8-10H,7H2,1-4H3/b8-6-,12-5+,14-13+.
What are the key properties of (3Z,5E)-5-ethylidene-8-methyl-6-methyliminonona-3,7-dienal?
(3Z,5E)-5-ethylidene-8-methyl-6-methyliminonona-3,7-dienal has a molecular weight of 205.30 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-5-ethylidene-8-methyl-6-methyliminonona-3,7-dienal is sourced from PubChem (CID 142857928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).