3-methoxy-4-methyliminocyclohex-2-en-1-one

C8H11NO2 — CID 143182781

IUPAC3-methoxy-4-methyliminocyclohex-2-en-1-one
SMILESC/N=C1\CCC(=O)C=C1OC
InChIInChI=1S/C8H11NO2/c1-9-7-4-3-6(10)5-8(7)11-2/h5H,3-4H2,1-2H3/b9-7+
InChIKeyVQEWJTIPBGCBNW-VQHVLOKHSA-N
MW153.18 g/mol
LogP0.95
Rot. Bonds1

About 3-methoxy-4-methyliminocyclohex-2-en-1-one

3-methoxy-4-methyliminocyclohex-2-en-1-one (PubChem CID 143182781) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 3-methoxy-4-methyliminocyclohex-2-en-1-one.

Molecular Properties

Compound Name3-methoxy-4-methyliminocyclohex-2-en-1-one
PubChem CID143182781
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name3-methoxy-4-methyliminocyclohex-2-en-1-one
SMILESC/N=C1\CCC(=O)C=C1OC
InChIInChI=1S/C8H11NO2/c1-9-7-4-3-6(10)5-8(7)11-2/h5H,3-4H2,1-2H3/b9-7+
InChIKeyVQEWJTIPBGCBNW-VQHVLOKHSA-N
XLogP0.95
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-methoxy-4-methyliminocyclohex-2-en-1-one?
The IUPAC name of 3-methoxy-4-methyliminocyclohex-2-en-1-one (CID 143182781) is 3-methoxy-4-methyliminocyclohex-2-en-1-one.
What is the SMILES notation for 3-methoxy-4-methyliminocyclohex-2-en-1-one?
The canonical SMILES for 3-methoxy-4-methyliminocyclohex-2-en-1-one is C/N=C1\CCC(=O)C=C1OC.
What is the InChIKey of 3-methoxy-4-methyliminocyclohex-2-en-1-one?
The InChIKey is VQEWJTIPBGCBNW-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H11NO2/c1-9-7-4-3-6(10)5-8(7)11-2/h5H,3-4H2,1-2H3/b9-7+.
What are the key properties of 3-methoxy-4-methyliminocyclohex-2-en-1-one?
3-methoxy-4-methyliminocyclohex-2-en-1-one has a molecular weight of 153.18 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-methyliminocyclohex-2-en-1-one is sourced from PubChem (CID 143182781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).