6-hydroxy-N-methoxy-N-methylcyclohex-2-ene-1-carboxamide

C9H15NO3 — CID 130142612

IUPAC6-hydroxy-N-methoxy-N-methylcyclohex-2-ene-1-carboxamide
SMILESCON(C)C(=O)C1C=CCCC1O
InChIInChI=1S/C9H15NO3/c1-10(13-2)9(12)7-5-3-4-6-8(7)11/h3,5,7-8,11H,4,6H2,1-2H3
InChIKeyKQRRMQWLWYTQPF-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.33
Rot. Bonds2

About 6-hydroxy-N-methoxy-N-methylcyclohex-2-ene-1-carboxamide

6-hydroxy-N-methoxy-N-methylcyclohex-2-ene-1-carboxamide (PubChem CID 130142612) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 6-hydroxy-N-methoxy-N-methylcyclohex-2-ene-1-carboxamide.

Molecular Properties

Compound Name6-hydroxy-N-methoxy-N-methylcyclohex-2-ene-1-carboxamide
PubChem CID130142612
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name6-hydroxy-N-methoxy-N-methylcyclohex-2-ene-1-carboxamide
SMILESCON(C)C(=O)C1C=CCCC1O
InChIInChI=1S/C9H15NO3/c1-10(13-2)9(12)7-5-3-4-6-8(7)11/h3,5,7-8,11H,4,6H2,1-2H3
InChIKeyKQRRMQWLWYTQPF-UHFFFAOYSA-N
XLogP0.33
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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 6-hydroxy-N-methoxy-N-methylcyclohex-2-ene-1-carboxamide?
The IUPAC name of 6-hydroxy-N-methoxy-N-methylcyclohex-2-ene-1-carboxamide (CID 130142612) is 6-hydroxy-N-methoxy-N-methylcyclohex-2-ene-1-carboxamide.
What is the SMILES notation for 6-hydroxy-N-methoxy-N-methylcyclohex-2-ene-1-carboxamide?
The canonical SMILES for 6-hydroxy-N-methoxy-N-methylcyclohex-2-ene-1-carboxamide is CON(C)C(=O)C1C=CCCC1O.
What is the InChIKey of 6-hydroxy-N-methoxy-N-methylcyclohex-2-ene-1-carboxamide?
The InChIKey is KQRRMQWLWYTQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-10(13-2)9(12)7-5-3-4-6-8(7)11/h3,5,7-8,11H,4,6H2,1-2H3.
What are the key properties of 6-hydroxy-N-methoxy-N-methylcyclohex-2-ene-1-carboxamide?
6-hydroxy-N-methoxy-N-methylcyclohex-2-ene-1-carboxamide has a molecular weight of 185.22 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-N-methoxy-N-methylcyclohex-2-ene-1-carboxamide is sourced from PubChem (CID 130142612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).