ethane;(5E,6Z)-5-ethylidene-4-(2-methylimidazol-1-yl)nona-6,8-dienal

C19H32N2O — CID 142075930

IUPACethane;(5E,6Z)-5-ethylidene-4-(2-methylimidazol-1-yl)nona-6,8-dienal
SMILESC=C/C=C\C(=C/C)C(CCC=O)n1ccnc1C.CC.CC
InChIInChI=1S/C15H20N2O.2C2H6/c1-4-6-8-14(5-2)15(9-7-12-18)17-11-10-16-13(17)3;2*1-2/h4-6,8,10-12,15H,1,7,9H2,2-3H3;2*1-2H3/b8-6-,14-5+;;
InChIKeyHPDJBOPOUHVUNT-AUNGSUMESA-N
MW304.48 g/mol
LogP5.45
Rot. Bonds7

About ethane;(5E,6Z)-5-ethylidene-4-(2-methylimidazol-1-yl)nona-6,8-dienal

ethane;(5E,6Z)-5-ethylidene-4-(2-methylimidazol-1-yl)nona-6,8-dienal (PubChem CID 142075930) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is ethane;(5E,6Z)-5-ethylidene-4-(2-methylimidazol-1-yl)nona-6,8-dienal.

Molecular Properties

Compound Nameethane;(5E,6Z)-5-ethylidene-4-(2-methylimidazol-1-yl)nona-6,8-dienal
PubChem CID142075930
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC Nameethane;(5E,6Z)-5-ethylidene-4-(2-methylimidazol-1-yl)nona-6,8-dienal
SMILESC=C/C=C\C(=C/C)C(CCC=O)n1ccnc1C.CC.CC
InChIInChI=1S/C15H20N2O.2C2H6/c1-4-6-8-14(5-2)15(9-7-12-18)17-11-10-16-13(17)3;2*1-2/h4-6,8,10-12,15H,1,7,9H2,2-3H3;2*1-2H3/b8-6-,14-5+;;
InChIKeyHPDJBOPOUHVUNT-AUNGSUMESA-N
XLogP5.45
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.48
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;(5E,6Z)-5-ethylidene-4-(2-methylimidazol-1-yl)nona-6,8-dienal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5Z,6Z)-1-imidazol-1-yl-9-methyl-5-prop-2-enylidenedeca-6,8-dien-2-one
CID 89217183
acetaldehyde;ethane;methoxyethane;2-[(6Z,8Z)-5-methylidene-4-propylundeca-6,8-dien-4-yl]-1-[(Z,3E)-3-propylidenehept-4-en-2-yl]imidazole
CID 142240293
ethane;(4E)-4-ethenyl-3-imidazol-1-ylhepta-4,6-dien-2-one
CID 144482342
2,4,6-Trimethyl-3-[(2-methylimidazol-1-yl)methyl]cyclohexa-1,5-diene-1-carbaldehyde
CID 152979647
(3R)-2,3,4,6-tetramethyl-3-[(2-methylimidazol-1-yl)methyl]cyclohexa-1,5-diene-1-carbaldehyde
CID 167020310
2,4,6-Trimethyl-3-[(2-methylimidazol-1-yl)methyl]cyclohexa-1,3-diene-1-carbaldehyde
CID 167264281
2,4,7-Trimethyl-3-[(2-methylimidazol-1-yl)methyl]cyclohepta-1,6-diene-1-carbaldehyde
CID 167264283
(2S,6S)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridine
CID 46990062
(2S*,6S*)-2,6-diallyl-1-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}-4-methyl-1,2,3,6-tetrahydropyridine
CID 133110523
(5E,6Z)-5-ethylidene-4-(2-methylimidazol-1-yl)nona-6,8-dienal
CID 142075931

Frequently Asked Questions

What is the IUPAC name of ethane;(5E,6Z)-5-ethylidene-4-(2-methylimidazol-1-yl)nona-6,8-dienal?
The IUPAC name of ethane;(5E,6Z)-5-ethylidene-4-(2-methylimidazol-1-yl)nona-6,8-dienal (CID 142075930) is ethane;(5E,6Z)-5-ethylidene-4-(2-methylimidazol-1-yl)nona-6,8-dienal.
What is the SMILES notation for ethane;(5E,6Z)-5-ethylidene-4-(2-methylimidazol-1-yl)nona-6,8-dienal?
The canonical SMILES for ethane;(5E,6Z)-5-ethylidene-4-(2-methylimidazol-1-yl)nona-6,8-dienal is C=C/C=C\C(=C/C)C(CCC=O)n1ccnc1C.CC.CC.
What is the InChIKey of ethane;(5E,6Z)-5-ethylidene-4-(2-methylimidazol-1-yl)nona-6,8-dienal?
The InChIKey is HPDJBOPOUHVUNT-AUNGSUMESA-N. The full InChI is InChI=1S/C15H20N2O.2C2H6/c1-4-6-8-14(5-2)15(9-7-12-18)17-11-10-16-13(17)3;2*1-2/h4-6,8,10-12,15H,1,7,9H2,2-3H3;2*1-2H3/b8-6-,14-5+;;.
What are the key properties of ethane;(5E,6Z)-5-ethylidene-4-(2-methylimidazol-1-yl)nona-6,8-dienal?
ethane;(5E,6Z)-5-ethylidene-4-(2-methylimidazol-1-yl)nona-6,8-dienal has a molecular weight of 304.48 g/mol, XLogP of 5.45, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5E,6Z)-5-ethylidene-4-(2-methylimidazol-1-yl)nona-6,8-dienal is sourced from PubChem (CID 142075930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).