(5Z)-6-methylimino-5-propylidenecyclohexa-1,3-diene-1-carbaldehyde

C11H13NO — CID 142071750

IUPAC(5Z)-6-methylimino-5-propylidenecyclohexa-1,3-diene-1-carbaldehyde
SMILESCC/C=C1/C=CC=C(C=O)/C1=N\C
InChIInChI=1S/C11H13NO/c1-3-5-9-6-4-7-10(8-13)11(9)12-2/h4-8H,3H2,1-2H3/b9-5-,12-11-
InChIKeyVVGJMCLEFUABFM-KUKIXKHNSA-N
MW175.23 g/mol
LogP2.09
Rot. Bonds2

About (5Z)-6-methylimino-5-propylidenecyclohexa-1,3-diene-1-carbaldehyde

(5Z)-6-methylimino-5-propylidenecyclohexa-1,3-diene-1-carbaldehyde (PubChem CID 142071750) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is (5Z)-6-methylimino-5-propylidenecyclohexa-1,3-diene-1-carbaldehyde.

Molecular Properties

Compound Name(5Z)-6-methylimino-5-propylidenecyclohexa-1,3-diene-1-carbaldehyde
PubChem CID142071750
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name(5Z)-6-methylimino-5-propylidenecyclohexa-1,3-diene-1-carbaldehyde
SMILESCC/C=C1/C=CC=C(C=O)/C1=N\C
InChIInChI=1S/C11H13NO/c1-3-5-9-6-4-7-10(8-13)11(9)12-2/h4-8H,3H2,1-2H3/b9-5-,12-11-
InChIKeyVVGJMCLEFUABFM-KUKIXKHNSA-N
XLogP2.09
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.09
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'}

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Related Compounds

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CID 87383215
(2E)-2-(C,N-dimethylcarbonimidoyl)-4-fluoropenta-2,4-dienal
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2H-benzimidazole-4-carbaldehyde
CID 60083258
6-Propa-1,2-dienyl-2,3-dihydropyridine-5-carbaldehyde
CID 89268689
3-(4-Ethyliminocyclohexa-1,5-dien-1-yl)prop-2-enal
CID 91243948
N-(4-formylcyclohexa-2,4-dien-1-ylidene)acetamide
CID 141161251
5-chloro-2-methyl-2H-indole-7-carbaldehyde
CID 141502071
5-Imino-6-methylidenecyclohexa-1,3-diene-1-carbaldehyde
CID 142986425
2H-1-benzazepine-4-carbaldehyde
CID 143310013
5-Ethenyl-2,3-dihydroquinoline-7-carbaldehyde
CID 144306469
(3E)-4-methylidene-3-prop-2-enylidenepyridine-2-carbaldehyde
CID 145424269
ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridine-2-carbaldehyde;methane
CID 162444125

Frequently Asked Questions

What is the IUPAC name of (5Z)-6-methylimino-5-propylidenecyclohexa-1,3-diene-1-carbaldehyde?
The IUPAC name of (5Z)-6-methylimino-5-propylidenecyclohexa-1,3-diene-1-carbaldehyde (CID 142071750) is (5Z)-6-methylimino-5-propylidenecyclohexa-1,3-diene-1-carbaldehyde.
What is the SMILES notation for (5Z)-6-methylimino-5-propylidenecyclohexa-1,3-diene-1-carbaldehyde?
The canonical SMILES for (5Z)-6-methylimino-5-propylidenecyclohexa-1,3-diene-1-carbaldehyde is CC/C=C1/C=CC=C(C=O)/C1=N\C.
What is the InChIKey of (5Z)-6-methylimino-5-propylidenecyclohexa-1,3-diene-1-carbaldehyde?
The InChIKey is VVGJMCLEFUABFM-KUKIXKHNSA-N. The full InChI is InChI=1S/C11H13NO/c1-3-5-9-6-4-7-10(8-13)11(9)12-2/h4-8H,3H2,1-2H3/b9-5-,12-11-.
What are the key properties of (5Z)-6-methylimino-5-propylidenecyclohexa-1,3-diene-1-carbaldehyde?
(5Z)-6-methylimino-5-propylidenecyclohexa-1,3-diene-1-carbaldehyde has a molecular weight of 175.23 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-6-methylimino-5-propylidenecyclohexa-1,3-diene-1-carbaldehyde is sourced from PubChem (CID 142071750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).