5-imino-6-methylidenecyclohexa-1,3-diene-1-carbaldehyde

C8H7NO — CID 142986425

IUPAC5-imino-6-methylidenecyclohexa-1,3-diene-1-carbaldehyde
SMILES[H]/N=C1\C=CC=C(C=O)C1=C
InChIInChI=1S/C8H7NO/c1-6-7(5-10)3-2-4-8(6)9/h2-5,9H,1H2/b9-8+
InChIKeyLXEHWVLLZFCIKJ-CMDGGOBGSA-N
MW133.15 g/mol
LogP1.26
Rot. Bonds1

About 5-imino-6-methylidenecyclohexa-1,3-diene-1-carbaldehyde

5-imino-6-methylidenecyclohexa-1,3-diene-1-carbaldehyde (PubChem CID 142986425) has the molecular formula C8H7NO and a molecular weight of 133.15 g/mol. Its IUPAC name is 5-imino-6-methylidenecyclohexa-1,3-diene-1-carbaldehyde.

Molecular Properties

Compound Name5-imino-6-methylidenecyclohexa-1,3-diene-1-carbaldehyde
PubChem CID142986425
Molecular FormulaC8H7NO
Molecular Weight133.15 g/mol
Exact Mass133.05
IUPAC Name5-imino-6-methylidenecyclohexa-1,3-diene-1-carbaldehyde
SMILES[H]/N=C1\C=CC=C(C=O)C1=C
InChIInChI=1S/C8H7NO/c1-6-7(5-10)3-2-4-8(6)9/h2-5,9H,1H2/b9-8+
InChIKeyLXEHWVLLZFCIKJ-CMDGGOBGSA-N
XLogP1.26
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 51.26
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
(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
5-Diazocyclohexa-1,3-diene-1-carbaldehyde
CID 53946793
2H-benzimidazole-4-carbaldehyde
CID 60083258
3-Imino-4-oxocyclohexa-1,5-diene-1-carbaldehyde;iron
CID 89387762
5,6-Diiminocyclohexa-1,3-diene-1-carbaldehyde
CID 89745851
5-Iminocyclopentene-1-carbaldehyde
CID 90701896
(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

Frequently Asked Questions

What is the IUPAC name of 5-imino-6-methylidenecyclohexa-1,3-diene-1-carbaldehyde?
The IUPAC name of 5-imino-6-methylidenecyclohexa-1,3-diene-1-carbaldehyde (CID 142986425) is 5-imino-6-methylidenecyclohexa-1,3-diene-1-carbaldehyde.
What is the SMILES notation for 5-imino-6-methylidenecyclohexa-1,3-diene-1-carbaldehyde?
The canonical SMILES for 5-imino-6-methylidenecyclohexa-1,3-diene-1-carbaldehyde is [H]/N=C1\C=CC=C(C=O)C1=C.
What is the InChIKey of 5-imino-6-methylidenecyclohexa-1,3-diene-1-carbaldehyde?
The InChIKey is LXEHWVLLZFCIKJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H7NO/c1-6-7(5-10)3-2-4-8(6)9/h2-5,9H,1H2/b9-8+.
What are the key properties of 5-imino-6-methylidenecyclohexa-1,3-diene-1-carbaldehyde?
5-imino-6-methylidenecyclohexa-1,3-diene-1-carbaldehyde has a molecular weight of 133.15 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-6-methylidenecyclohexa-1,3-diene-1-carbaldehyde is sourced from PubChem (CID 142986425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).