(6Z)-6-ethylidene-5-iminocyclohexa-1,3-diene-1-carbaldehyde

C9H9NO — CID 145451637

IUPAC(6Z)-6-ethylidene-5-iminocyclohexa-1,3-diene-1-carbaldehyde
SMILES[H]/N=C1\C=CC=C(C=O)\C1=C\C
InChIInChI=1S/C9H9NO/c1-2-8-7(6-11)4-3-5-9(8)10/h2-6,10H,1H3/b8-2-,10-9+
InChIKeyCLIGNQQLOJUEEB-CZOJQTGXSA-N
MW147.18 g/mol
LogP1.65
Rot. Bonds1

About (6Z)-6-ethylidene-5-iminocyclohexa-1,3-diene-1-carbaldehyde

(6Z)-6-ethylidene-5-iminocyclohexa-1,3-diene-1-carbaldehyde (PubChem CID 145451637) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is (6Z)-6-ethylidene-5-iminocyclohexa-1,3-diene-1-carbaldehyde.

Molecular Properties

Compound Name(6Z)-6-ethylidene-5-iminocyclohexa-1,3-diene-1-carbaldehyde
PubChem CID145451637
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name(6Z)-6-ethylidene-5-iminocyclohexa-1,3-diene-1-carbaldehyde
SMILES[H]/N=C1\C=CC=C(C=O)\C1=C\C
InChIInChI=1S/C9H9NO/c1-2-8-7(6-11)4-3-5-9(8)10/h2-6,10H,1H3/b8-2-,10-9+
InChIKeyCLIGNQQLOJUEEB-CZOJQTGXSA-N
XLogP1.65
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.65
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'}

Analyze (6Z)-6-ethylidene-5-iminocyclohexa-1,3-diene-1-carbaldehyde 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

1-(6-Iminocyclohexa-1,3-dien-1-yl)ethanone
CID 134843797
(2E,4E)-2-ethanimidoyl-4-fluorohexa-2,4-dienal
CID 168203233
6-Diazocyclohexa-1,3-diene-1-carbaldehyde
CID 21977809
6-Iminocyclohexa-1,3-diene-1-carbaldehyde
CID 22919033
5-Diazocyclohexa-1,3-diene-1-carbaldehyde
CID 53946793
5,6-Diiminocyclohexa-1,3-diene-1-carbaldehyde
CID 89745851
7-Imino-3-methylcyclohepta-1,5-diene-1-carbaldehyde
CID 91018660
(E)-2-ethanimidoylbut-2-enal
CID 91129706
(1E)-9-iminocyclonona-1,3-diene-1-carbaldehyde
CID 123386045
(3Z)-7-ethanimidoyl-8-methyl-2,5,6-trimethylidenenona-3,7-dienal
CID 123708822
2-(6-Iminocyclohex-2-en-1-ylidene)acetaldehyde
CID 123734872
2-[(1E)-1-(6-iminocyclohexa-2,4-dien-1-ylidene)ethyl]pentanal
CID 132135252

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-ethylidene-5-iminocyclohexa-1,3-diene-1-carbaldehyde?
The IUPAC name of (6Z)-6-ethylidene-5-iminocyclohexa-1,3-diene-1-carbaldehyde (CID 145451637) is (6Z)-6-ethylidene-5-iminocyclohexa-1,3-diene-1-carbaldehyde.
What is the SMILES notation for (6Z)-6-ethylidene-5-iminocyclohexa-1,3-diene-1-carbaldehyde?
The canonical SMILES for (6Z)-6-ethylidene-5-iminocyclohexa-1,3-diene-1-carbaldehyde is [H]/N=C1\C=CC=C(C=O)\C1=C\C.
What is the InChIKey of (6Z)-6-ethylidene-5-iminocyclohexa-1,3-diene-1-carbaldehyde?
The InChIKey is CLIGNQQLOJUEEB-CZOJQTGXSA-N. The full InChI is InChI=1S/C9H9NO/c1-2-8-7(6-11)4-3-5-9(8)10/h2-6,10H,1H3/b8-2-,10-9+.
What are the key properties of (6Z)-6-ethylidene-5-iminocyclohexa-1,3-diene-1-carbaldehyde?
(6Z)-6-ethylidene-5-iminocyclohexa-1,3-diene-1-carbaldehyde has a molecular weight of 147.18 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-ethylidene-5-iminocyclohexa-1,3-diene-1-carbaldehyde is sourced from PubChem (CID 145451637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).