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

C15H20N2O — CID 142075931

IUPAC(5E,6Z)-5-ethylidene-4-(2-methylimidazol-1-yl)nona-6,8-dienal
SMILESC=C/C=C\C(=C/C)C(CCC=O)n1ccnc1C
InChIInChI=1S/C15H20N2O/c1-4-6-8-14(5-2)15(9-7-12-18)17-11-10-16-13(17)3/h4-6,8,10-12,15H,1,7,9H2,2-3H3/b8-6-,14-5+
InChIKeyRWUKUWJEBCOPHD-QIIRRSOFSA-N
MW244.34 g/mol
LogP3.40
Rot. Bonds7

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

(5E,6Z)-5-ethylidene-4-(2-methylimidazol-1-yl)nona-6,8-dienal (PubChem CID 142075931) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (5E,6Z)-5-ethylidene-4-(2-methylimidazol-1-yl)nona-6,8-dienal.

Molecular Properties

Compound Name(5E,6Z)-5-ethylidene-4-(2-methylimidazol-1-yl)nona-6,8-dienal
PubChem CID142075931
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(5E,6Z)-5-ethylidene-4-(2-methylimidazol-1-yl)nona-6,8-dienal
SMILESC=C/C=C\C(=C/C)C(CCC=O)n1ccnc1C
InChIInChI=1S/C15H20N2O/c1-4-6-8-14(5-2)15(9-7-12-18)17-11-10-16-13(17)3/h4-6,8,10-12,15H,1,7,9H2,2-3H3/b8-6-,14-5+
InChIKeyRWUKUWJEBCOPHD-QIIRRSOFSA-N
XLogP3.40
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.40
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'}

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Related Compounds

(5Z,6Z)-1-imidazol-1-yl-9-methyl-5-prop-2-enylidenedeca-6,8-dien-2-one
CID 89217183
(6Z,8Z)-1-imidazol-1-yl-5-methylidenedeca-6,8-dien-2-one
CID 89217195
5-Methyl-5,6-dihydroimidazo[1,2-a]pyridine-6-carbaldehyde
CID 137390680
3-(1-Methylimidazol-2-yl)but-3-enal
CID 138741874
ethane;(5E,6Z)-5-ethylidene-4-(2-methylimidazol-1-yl)nona-6,8-dienal
CID 142075930
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
1-(1-Methylcyclohexa-2,4-dien-1-yl)imidazole-2-carbaldehyde
CID 142513429
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

Frequently Asked Questions

What is the IUPAC name of (5E,6Z)-5-ethylidene-4-(2-methylimidazol-1-yl)nona-6,8-dienal?
The IUPAC name of (5E,6Z)-5-ethylidene-4-(2-methylimidazol-1-yl)nona-6,8-dienal (CID 142075931) is (5E,6Z)-5-ethylidene-4-(2-methylimidazol-1-yl)nona-6,8-dienal.
What is the SMILES notation for (5E,6Z)-5-ethylidene-4-(2-methylimidazol-1-yl)nona-6,8-dienal?
The canonical SMILES for (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.
What is the InChIKey of (5E,6Z)-5-ethylidene-4-(2-methylimidazol-1-yl)nona-6,8-dienal?
The InChIKey is RWUKUWJEBCOPHD-QIIRRSOFSA-N. The full InChI is InChI=1S/C15H20N2O/c1-4-6-8-14(5-2)15(9-7-12-18)17-11-10-16-13(17)3/h4-6,8,10-12,15H,1,7,9H2,2-3H3/b8-6-,14-5+.
What are the key properties of (5E,6Z)-5-ethylidene-4-(2-methylimidazol-1-yl)nona-6,8-dienal?
(5E,6Z)-5-ethylidene-4-(2-methylimidazol-1-yl)nona-6,8-dienal has a molecular weight of 244.34 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,6Z)-5-ethylidene-4-(2-methylimidazol-1-yl)nona-6,8-dienal is sourced from PubChem (CID 142075931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).