(1E)-9-iminocyclonona-1,3-diene-1-carbaldehyde

C10H13NO — CID 123386045

IUPAC(1E)-9-iminocyclonona-1,3-diene-1-carbaldehyde
SMILES[H]/N=C1CCCCC=C/C=C\1C=O
InChIInChI=1S/C10H13NO/c11-10-7-5-3-1-2-4-6-9(10)8-12/h2,4,6,8,11H,1,3,5,7H2/b4-2?,9-6-,11-10+
InChIKeyKYJYVQGQKSHCIR-IIHDDMQKSA-N
MW163.22 g/mol
LogP2.26
Rot. Bonds1

About (1E)-9-iminocyclonona-1,3-diene-1-carbaldehyde

(1E)-9-iminocyclonona-1,3-diene-1-carbaldehyde (PubChem CID 123386045) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (1E)-9-iminocyclonona-1,3-diene-1-carbaldehyde.

Molecular Properties

Compound Name(1E)-9-iminocyclonona-1,3-diene-1-carbaldehyde
PubChem CID123386045
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(1E)-9-iminocyclonona-1,3-diene-1-carbaldehyde
SMILES[H]/N=C1CCCCC=C/C=C\1C=O
InChIInChI=1S/C10H13NO/c11-10-7-5-3-1-2-4-6-9(10)8-12/h2,4,6,8,11H,1,3,5,7H2/b4-2?,9-6-,11-10+
InChIKeyKYJYVQGQKSHCIR-IIHDDMQKSA-N
XLogP2.26
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.26
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

6-Iminocyclohexa-1,3-diene-1-carbaldehyde
CID 22919033
3-Iminocyclohexene-1-carbaldehyde
CID 123914990
5-Imino-6-methylidenecyclohexa-1,3-diene-1-carbaldehyde
CID 142986425
4-Cyclopenta-1,3-dien-1-yl-4-iminobutanal
CID 163591561
6-Iminocyclohexa-1,3-diene-1-carbaldehyde
CID 132487739
(6Z)-6-ethylidene-5-iminocyclohexa-1,3-diene-1-carbaldehyde
CID 145451637

Frequently Asked Questions

What is the IUPAC name of (1E)-9-iminocyclonona-1,3-diene-1-carbaldehyde?
The IUPAC name of (1E)-9-iminocyclonona-1,3-diene-1-carbaldehyde (CID 123386045) is (1E)-9-iminocyclonona-1,3-diene-1-carbaldehyde.
What is the SMILES notation for (1E)-9-iminocyclonona-1,3-diene-1-carbaldehyde?
The canonical SMILES for (1E)-9-iminocyclonona-1,3-diene-1-carbaldehyde is [H]/N=C1CCCCC=C/C=C\1C=O.
What is the InChIKey of (1E)-9-iminocyclonona-1,3-diene-1-carbaldehyde?
The InChIKey is KYJYVQGQKSHCIR-IIHDDMQKSA-N. The full InChI is InChI=1S/C10H13NO/c11-10-7-5-3-1-2-4-6-9(10)8-12/h2,4,6,8,11H,1,3,5,7H2/b4-2?,9-6-,11-10+.
What are the key properties of (1E)-9-iminocyclonona-1,3-diene-1-carbaldehyde?
(1E)-9-iminocyclonona-1,3-diene-1-carbaldehyde has a molecular weight of 163.22 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-9-iminocyclonona-1,3-diene-1-carbaldehyde is sourced from PubChem (CID 123386045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).