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

C7H7NO — CID 57176337

IUPAC(6-iminocyclohex-2-en-1-ylidene)methanone
SMILES[H]/N=C1\CCC=CC1=C=O
InChIInChI=1S/C7H7NO/c8-7-4-2-1-3-6(7)5-9/h1,3,8H,2,4H2/b8-7+
InChIKeyZHBDSLSFRBYINL-BQYQJAHWSA-N
MW121.14 g/mol
LogP1.11
Rot. Bonds

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

(6-iminocyclohex-2-en-1-ylidene)methanone (PubChem CID 57176337) has the molecular formula C7H7NO and a molecular weight of 121.14 g/mol. Its IUPAC name is (6-iminocyclohex-2-en-1-ylidene)methanone.

Molecular Properties

Compound Name(6-iminocyclohex-2-en-1-ylidene)methanone
PubChem CID57176337
Molecular FormulaC7H7NO
Molecular Weight121.14 g/mol
Exact Mass121.05
IUPAC Name(6-iminocyclohex-2-en-1-ylidene)methanone
SMILES[H]/N=C1\CCC=CC1=C=O
InChIInChI=1S/C7H7NO/c8-7-4-2-1-3-6(7)5-9/h1,3,8H,2,4H2/b8-7+
InChIKeyZHBDSLSFRBYINL-BQYQJAHWSA-N
XLogP1.11
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6-Imino-2,4-cyclohexadien-1-ylidene)methanone
CID 12896155
4-Methylidenecyclohex-2-en-1-imine
CID 68245603
2-Methylidenecyclohex-3-en-1-imine
CID 89043508
5-Methylidenecyclohex-3-en-1-imine
CID 136901615

Frequently Asked Questions

What is the IUPAC name of (6-iminocyclohex-2-en-1-ylidene)methanone?
The IUPAC name of (6-iminocyclohex-2-en-1-ylidene)methanone (CID 57176337) is (6-iminocyclohex-2-en-1-ylidene)methanone.
What is the SMILES notation for (6-iminocyclohex-2-en-1-ylidene)methanone?
The canonical SMILES for (6-iminocyclohex-2-en-1-ylidene)methanone is [H]/N=C1\CCC=CC1=C=O.
What is the InChIKey of (6-iminocyclohex-2-en-1-ylidene)methanone?
The InChIKey is ZHBDSLSFRBYINL-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H7NO/c8-7-4-2-1-3-6(7)5-9/h1,3,8H,2,4H2/b8-7+.
What are the key properties of (6-iminocyclohex-2-en-1-ylidene)methanone?
(6-iminocyclohex-2-en-1-ylidene)methanone has a molecular weight of 121.14 g/mol, XLogP of 1.11, 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-ylidene)methanone is sourced from PubChem (CID 57176337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).