3-iminocyclohexene-1-carbaldehyde

C7H9NO — CID 123914990

IUPAC3-iminocyclohexene-1-carbaldehyde
SMILES[H]/N=C1/C=C(C=O)CCC1
InChIInChI=1S/C7H9NO/c8-7-3-1-2-6(4-7)5-9/h4-5,8H,1-3H2/b8-7+
InChIKeyOHYJWFBMTUMPEK-BQYQJAHWSA-N
MW123.15 g/mol
LogP1.32
Rot. Bonds1

About 3-iminocyclohexene-1-carbaldehyde

3-iminocyclohexene-1-carbaldehyde (PubChem CID 123914990) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 3-iminocyclohexene-1-carbaldehyde.

Molecular Properties

Compound Name3-iminocyclohexene-1-carbaldehyde
PubChem CID123914990
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name3-iminocyclohexene-1-carbaldehyde
SMILES[H]/N=C1/C=C(C=O)CCC1
InChIInChI=1S/C7H9NO/c8-7-3-1-2-6(4-7)5-9/h4-5,8H,1-3H2/b8-7+
InChIKeyOHYJWFBMTUMPEK-BQYQJAHWSA-N
XLogP1.32
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 51.32
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

6-Iminocyclohexa-1,3-diene-1-carbaldehyde
CID 22919033
5-Iminocyclopentene-1-carbaldehyde
CID 90701896
(1E)-9-iminocyclonona-1,3-diene-1-carbaldehyde
CID 123386045
6-Iminocyclohexa-1,3-diene-1-carbaldehyde
CID 132487739

Frequently Asked Questions

What is the IUPAC name of 3-iminocyclohexene-1-carbaldehyde?
The IUPAC name of 3-iminocyclohexene-1-carbaldehyde (CID 123914990) is 3-iminocyclohexene-1-carbaldehyde.
What is the SMILES notation for 3-iminocyclohexene-1-carbaldehyde?
The canonical SMILES for 3-iminocyclohexene-1-carbaldehyde is [H]/N=C1/C=C(C=O)CCC1.
What is the InChIKey of 3-iminocyclohexene-1-carbaldehyde?
The InChIKey is OHYJWFBMTUMPEK-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H9NO/c8-7-3-1-2-6(4-7)5-9/h4-5,8H,1-3H2/b8-7+.
What are the key properties of 3-iminocyclohexene-1-carbaldehyde?
3-iminocyclohexene-1-carbaldehyde has a molecular weight of 123.15 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iminocyclohexene-1-carbaldehyde is sourced from PubChem (CID 123914990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).