2-(N-ethoxy-C-methylcarbonimidoyl)-3-hydroxycyclohex-2-en-1-one

C10H15NO3 — CID 152774320

IUPAC2-(N-ethoxy-C-methylcarbonimidoyl)-3-hydroxycyclohex-2-en-1-one
SMILESCCON=C(C)C1=C(O)CCCC1=O
InChIInChI=1S/C10H15NO3/c1-3-14-11-7(2)10-8(12)5-4-6-9(10)13/h12H,3-6H2,1-2H3
InChIKeyGBVUZVUVSPNKQM-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.96
Rot. Bonds3

About 2-(N-ethoxy-C-methylcarbonimidoyl)-3-hydroxycyclohex-2-en-1-one

2-(N-ethoxy-C-methylcarbonimidoyl)-3-hydroxycyclohex-2-en-1-one (PubChem CID 152774320) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-(N-ethoxy-C-methylcarbonimidoyl)-3-hydroxycyclohex-2-en-1-one.

Molecular Properties

Compound Name2-(N-ethoxy-C-methylcarbonimidoyl)-3-hydroxycyclohex-2-en-1-one
PubChem CID152774320
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-(N-ethoxy-C-methylcarbonimidoyl)-3-hydroxycyclohex-2-en-1-one
SMILESCCON=C(C)C1=C(O)CCCC1=O
InChIInChI=1S/C10H15NO3/c1-3-14-11-7(2)10-8(12)5-4-6-9(10)13/h12H,3-6H2,1-2H3
InChIKeyGBVUZVUVSPNKQM-UHFFFAOYSA-N
XLogP1.96
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(N-ethoxy-C-methylcarbonimidoyl)-3-hydroxycyclohex-2-en-1-one?
The IUPAC name of 2-(N-ethoxy-C-methylcarbonimidoyl)-3-hydroxycyclohex-2-en-1-one (CID 152774320) is 2-(N-ethoxy-C-methylcarbonimidoyl)-3-hydroxycyclohex-2-en-1-one.
What is the SMILES notation for 2-(N-ethoxy-C-methylcarbonimidoyl)-3-hydroxycyclohex-2-en-1-one?
The canonical SMILES for 2-(N-ethoxy-C-methylcarbonimidoyl)-3-hydroxycyclohex-2-en-1-one is CCON=C(C)C1=C(O)CCCC1=O.
What is the InChIKey of 2-(N-ethoxy-C-methylcarbonimidoyl)-3-hydroxycyclohex-2-en-1-one?
The InChIKey is GBVUZVUVSPNKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-3-14-11-7(2)10-8(12)5-4-6-9(10)13/h12H,3-6H2,1-2H3.
What are the key properties of 2-(N-ethoxy-C-methylcarbonimidoyl)-3-hydroxycyclohex-2-en-1-one?
2-(N-ethoxy-C-methylcarbonimidoyl)-3-hydroxycyclohex-2-en-1-one has a molecular weight of 197.23 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethoxy-C-methylcarbonimidoyl)-3-hydroxycyclohex-2-en-1-one is sourced from PubChem (CID 152774320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).