4-iminocyclohexa-1,5-diene-1-carbaldehyde

C7H7NO — CID 151352510

IUPAC4-iminocyclohexa-1,5-diene-1-carbaldehyde
SMILES[H]/N=C1/C=CC(C=O)=CC1
InChIInChI=1S/C7H7NO/c8-7-3-1-6(5-9)2-4-7/h1-3,5,8H,4H2/b8-7-
InChIKeyOMTVDSYJXOWDSH-FPLPWBNLSA-N
MW121.14 g/mol
LogP1.09
Rot. Bonds1

About 4-iminocyclohexa-1,5-diene-1-carbaldehyde

4-iminocyclohexa-1,5-diene-1-carbaldehyde (PubChem CID 151352510) has the molecular formula C7H7NO and a molecular weight of 121.14 g/mol. Its IUPAC name is 4-iminocyclohexa-1,5-diene-1-carbaldehyde.

Molecular Properties

Compound Name4-iminocyclohexa-1,5-diene-1-carbaldehyde
PubChem CID151352510
Molecular FormulaC7H7NO
Molecular Weight121.14 g/mol
Exact Mass121.05
IUPAC Name4-iminocyclohexa-1,5-diene-1-carbaldehyde
SMILES[H]/N=C1/C=CC(C=O)=CC1
InChIInChI=1S/C7H7NO/c8-7-3-1-6(5-9)2-4-7/h1-3,5,8H,4H2/b8-7-
InChIKeyOMTVDSYJXOWDSH-FPLPWBNLSA-N
XLogP1.09
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 51.09
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'}

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Related Compounds

3-Imino-4-oxocyclohexa-1,5-diene-1-carbaldehyde
CID 89387721
6-Imino-4-methylcyclohexa-2,4-dien-1-one
CID 101512393
Imino-benzaldehyde
CID 134612555
(3-Formyl-6-oxocyclohexa-2,4-dien-1-ylidene)azanium
CID 134860494
6-Diazocyclohexa-1,3-diene-1-carbaldehyde
CID 21977809
6-Iminocyclohexa-1,3-diene-1-carbaldehyde
CID 22919033
4-Diazocyclohexa-1,5-diene-1-carbaldehyde
CID 53665800
5-Diazocyclohexa-1,3-diene-1-carbaldehyde
CID 53946793
3-Imino-4-oxocyclohexa-1,5-diene-1-carbaldehyde;iron
CID 89387762
5,6-Diiminocyclohexa-1,3-diene-1-carbaldehyde
CID 89745851
(3Z)-7-ethanimidoyl-8-methyl-2,5,6-trimethylidenenona-3,7-dienal
CID 123708822
2-(6-Iminocyclohex-2-en-1-ylidene)acetaldehyde
CID 123734872

Frequently Asked Questions

What is the IUPAC name of 4-iminocyclohexa-1,5-diene-1-carbaldehyde?
The IUPAC name of 4-iminocyclohexa-1,5-diene-1-carbaldehyde (CID 151352510) is 4-iminocyclohexa-1,5-diene-1-carbaldehyde.
What is the SMILES notation for 4-iminocyclohexa-1,5-diene-1-carbaldehyde?
The canonical SMILES for 4-iminocyclohexa-1,5-diene-1-carbaldehyde is [H]/N=C1/C=CC(C=O)=CC1.
What is the InChIKey of 4-iminocyclohexa-1,5-diene-1-carbaldehyde?
The InChIKey is OMTVDSYJXOWDSH-FPLPWBNLSA-N. The full InChI is InChI=1S/C7H7NO/c8-7-3-1-6(5-9)2-4-7/h1-3,5,8H,4H2/b8-7-.
What are the key properties of 4-iminocyclohexa-1,5-diene-1-carbaldehyde?
4-iminocyclohexa-1,5-diene-1-carbaldehyde has a molecular weight of 121.14 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iminocyclohexa-1,5-diene-1-carbaldehyde is sourced from PubChem (CID 151352510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).