2-(6-iminocyclohex-2-en-1-ylidene)acetaldehyde

C8H9NO — CID 123734872

IUPAC2-(6-iminocyclohex-2-en-1-ylidene)acetaldehyde
SMILES[H]/N=C1\CCC=CC1=CC=O
InChIInChI=1S/C8H9NO/c9-8-4-2-1-3-7(8)5-6-10/h1,3,5-6,9H,2,4H2/b7-5?,9-8+
InChIKeyMBCQJNAVCSYMPV-KQEMPYGNSA-N
MW135.17 g/mol
LogP1.48
Rot. Bonds1

About 2-(6-iminocyclohex-2-en-1-ylidene)acetaldehyde

2-(6-iminocyclohex-2-en-1-ylidene)acetaldehyde (PubChem CID 123734872) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 2-(6-iminocyclohex-2-en-1-ylidene)acetaldehyde.

Molecular Properties

Compound Name2-(6-iminocyclohex-2-en-1-ylidene)acetaldehyde
PubChem CID123734872
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name2-(6-iminocyclohex-2-en-1-ylidene)acetaldehyde
SMILES[H]/N=C1\CCC=CC1=CC=O
InChIInChI=1S/C8H9NO/c9-8-4-2-1-3-7(8)5-6-10/h1,3,5-6,9H,2,4H2/b7-5?,9-8+
InChIKeyMBCQJNAVCSYMPV-KQEMPYGNSA-N
XLogP1.48
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.48
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-Iminocyclohexa-1,3-diene-1-carbaldehyde
CID 22919033
5,6-Diiminocyclohexa-1,3-diene-1-carbaldehyde
CID 89745851
(3Z)-7-ethanimidoyl-8-methyl-2,5,6-trimethylidenenona-3,7-dienal
CID 123708822
6-Iminoocta-2,4-dienal
CID 142648191
5-Imino-6-methylidenecyclohexa-1,3-diene-1-carbaldehyde
CID 142986425
(Z)-5-imino-4-methyl-2-propan-2-ylidenehex-3-enal
CID 146288742
4-Iminocyclohexa-1,5-diene-1-carbaldehyde
CID 151352510
5,6-Diiminocyclohexa-1,3-diene-1-carbaldehyde;sulfane
CID 159345397
5-Iminocyclohexa-1,3-diene-1,3-dicarbaldehyde
CID 176074838
4-Iminocyclohexa-1,5-diene-1-carbaldehyde
CID 12452104
(2E)-2-(6-iminocyclohexa-2,4-dien-1-ylidene)acetaldehyde
CID 101924026
6-Iminocyclohexa-1,3-diene-1-carbaldehyde
CID 132487739

Frequently Asked Questions

What is the IUPAC name of 2-(6-iminocyclohex-2-en-1-ylidene)acetaldehyde?
The IUPAC name of 2-(6-iminocyclohex-2-en-1-ylidene)acetaldehyde (CID 123734872) is 2-(6-iminocyclohex-2-en-1-ylidene)acetaldehyde.
What is the SMILES notation for 2-(6-iminocyclohex-2-en-1-ylidene)acetaldehyde?
The canonical SMILES for 2-(6-iminocyclohex-2-en-1-ylidene)acetaldehyde is [H]/N=C1\CCC=CC1=CC=O.
What is the InChIKey of 2-(6-iminocyclohex-2-en-1-ylidene)acetaldehyde?
The InChIKey is MBCQJNAVCSYMPV-KQEMPYGNSA-N. The full InChI is InChI=1S/C8H9NO/c9-8-4-2-1-3-7(8)5-6-10/h1,3,5-6,9H,2,4H2/b7-5?,9-8+.
What are the key properties of 2-(6-iminocyclohex-2-en-1-ylidene)acetaldehyde?
2-(6-iminocyclohex-2-en-1-ylidene)acetaldehyde has a molecular weight of 135.17 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-iminocyclohex-2-en-1-ylidene)acetaldehyde is sourced from PubChem (CID 123734872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).