6-iminocyclohex-2-en-1-one

C6H7NO — CID 57109028

IUPAC6-iminocyclohex-2-en-1-one
SMILES[H]/N=C1\CCC=CC1=O
InChIInChI=1S/C6H7NO/c7-5-3-1-2-4-6(5)8/h2,4,7H,1,3H2/b7-5+
InChIKeyOAAOEUWSVRGTKF-FNORWQNLSA-N
MW109.13 g/mol
LogP0.93
Rot. Bonds

About 6-iminocyclohex-2-en-1-one

6-iminocyclohex-2-en-1-one (PubChem CID 57109028) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is 6-iminocyclohex-2-en-1-one.

Molecular Properties

Compound Name6-iminocyclohex-2-en-1-one
PubChem CID57109028
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Name6-iminocyclohex-2-en-1-one
SMILES[H]/N=C1\CCC=CC1=O
InChIInChI=1S/C6H7NO/c7-5-3-1-2-4-6(5)8/h2,4,7H,1,3H2/b7-5+
InChIKeyOAAOEUWSVRGTKF-FNORWQNLSA-N
XLogP0.93
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-Iminocyclohexa-2,4-dien-1-one
CID 15903259
Iminobenzoquinone
CID 21281702
6-Diazocyclohex-2-en-1-one
CID 53964219
Diazo-2-cyclohexenone
CID 54099273
1,2-Benzoquinonimine
CID 57115097
N-chloroimino-p-benzoquinone
CID 69684561
5,6-Diiminocyclohex-3-en-1-one
CID 90851116
o-Benzoquinonediimine
CID 123944705
Imino-2-cyclohexenone
CID 124028064
Benzoquinonediimine
CID 129637041
6-Phosphanyliminocyclohex-2-en-1-one
CID 91414281
6-Iminocyclohex-4-ene-1,3-dione
CID 91609050

Frequently Asked Questions

What is the IUPAC name of 6-iminocyclohex-2-en-1-one?
The IUPAC name of 6-iminocyclohex-2-en-1-one (CID 57109028) is 6-iminocyclohex-2-en-1-one.
What is the SMILES notation for 6-iminocyclohex-2-en-1-one?
The canonical SMILES for 6-iminocyclohex-2-en-1-one is [H]/N=C1\CCC=CC1=O.
What is the InChIKey of 6-iminocyclohex-2-en-1-one?
The InChIKey is OAAOEUWSVRGTKF-FNORWQNLSA-N. The full InChI is InChI=1S/C6H7NO/c7-5-3-1-2-4-6(5)8/h2,4,7H,1,3H2/b7-5+.
What are the key properties of 6-iminocyclohex-2-en-1-one?
6-iminocyclohex-2-en-1-one has a molecular weight of 109.13 g/mol, XLogP of 0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iminocyclohex-2-en-1-one is sourced from PubChem (CID 57109028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).