6-iminocyclohexene-1-carboxylic acid

C7H9NO2 — CID 55302146

IUPAC6-iminocyclohexene-1-carboxylic acid
SMILES[H]/N=C1\CCCC=C1C(=O)O
InChIInChI=1S/C7H9NO2/c8-6-4-2-1-3-5(6)7(9)10/h3,8H,1-2,4H2,(H,9,10)/b8-6+
InChIKeyRKFAALNBZNUMMV-SOFGYWHQSA-N
MW139.15 g/mol
LogP1.20
Rot. Bonds1

About 6-iminocyclohexene-1-carboxylic acid

6-iminocyclohexene-1-carboxylic acid (PubChem CID 55302146) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 6-iminocyclohexene-1-carboxylic acid.

Molecular Properties

Compound Name6-iminocyclohexene-1-carboxylic acid
PubChem CID55302146
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name6-iminocyclohexene-1-carboxylic acid
SMILES[H]/N=C1\CCCC=C1C(=O)O
InChIInChI=1S/C7H9NO2/c8-6-4-2-1-3-5(6)7(9)10/h3,8H,1-2,4H2,(H,9,10)/b8-6+
InChIKeyRKFAALNBZNUMMV-SOFGYWHQSA-N
XLogP1.20
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-iminocyclohexene-1-carboxylic acid?
The IUPAC name of 6-iminocyclohexene-1-carboxylic acid (CID 55302146) is 6-iminocyclohexene-1-carboxylic acid.
What is the SMILES notation for 6-iminocyclohexene-1-carboxylic acid?
The canonical SMILES for 6-iminocyclohexene-1-carboxylic acid is [H]/N=C1\CCCC=C1C(=O)O.
What is the InChIKey of 6-iminocyclohexene-1-carboxylic acid?
The InChIKey is RKFAALNBZNUMMV-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H9NO2/c8-6-4-2-1-3-5(6)7(9)10/h3,8H,1-2,4H2,(H,9,10)/b8-6+.
What are the key properties of 6-iminocyclohexene-1-carboxylic acid?
6-iminocyclohexene-1-carboxylic acid has a molecular weight of 139.15 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iminocyclohexene-1-carboxylic acid is sourced from PubChem (CID 55302146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).