2-iminocyclohex-3-en-1-one

C6H7NO — CID 68978964

IUPAC2-iminocyclohex-3-en-1-one
SMILES[H]/N=C1\C=CCCC1=O
InChIInChI=1S/C6H7NO/c7-5-3-1-2-4-6(5)8/h1,3,7H,2,4H2/b7-5+
InChIKeyUATBPDRCJIDIFW-FNORWQNLSA-N
MW109.13 g/mol
LogP0.93
Rot. Bonds

About 2-iminocyclohex-3-en-1-one

2-iminocyclohex-3-en-1-one (PubChem CID 68978964) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is 2-iminocyclohex-3-en-1-one.

Molecular Properties

Compound Name2-iminocyclohex-3-en-1-one
PubChem CID68978964
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Name2-iminocyclohex-3-en-1-one
SMILES[H]/N=C1\C=CCCC1=O
InChIInChI=1S/C6H7NO/c7-5-3-1-2-4-6(5)8/h1,3,7H,2,4H2/b7-5+
InChIKeyUATBPDRCJIDIFW-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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Frequently Asked Questions

What is the IUPAC name of 2-iminocyclohex-3-en-1-one?
The IUPAC name of 2-iminocyclohex-3-en-1-one (CID 68978964) is 2-iminocyclohex-3-en-1-one.
What is the SMILES notation for 2-iminocyclohex-3-en-1-one?
The canonical SMILES for 2-iminocyclohex-3-en-1-one is [H]/N=C1\C=CCCC1=O.
What is the InChIKey of 2-iminocyclohex-3-en-1-one?
The InChIKey is UATBPDRCJIDIFW-FNORWQNLSA-N. The full InChI is InChI=1S/C6H7NO/c7-5-3-1-2-4-6(5)8/h1,3,7H,2,4H2/b7-5+.
What are the key properties of 2-iminocyclohex-3-en-1-one?
2-iminocyclohex-3-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 2-iminocyclohex-3-en-1-one is sourced from PubChem (CID 68978964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).