5-(methoxymethyl)-N,N-dimethylcyclohex-2-ene-1-carboxamide

C11H19NO2 — CID 143729447

IUPAC5-(methoxymethyl)-N,N-dimethylcyclohex-2-ene-1-carboxamide
SMILESCOCC1CC=CC(C(=O)N(C)C)C1
InChIInChI=1S/C11H19NO2/c1-12(2)11(13)10-6-4-5-9(7-10)8-14-3/h4,6,9-10H,5,7-8H2,1-3H3
InChIKeyNXBMLZPNBYEDGW-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.30
Rot. Bonds3

About 5-(methoxymethyl)-N,N-dimethylcyclohex-2-ene-1-carboxamide

5-(methoxymethyl)-N,N-dimethylcyclohex-2-ene-1-carboxamide (PubChem CID 143729447) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 5-(methoxymethyl)-N,N-dimethylcyclohex-2-ene-1-carboxamide.

Molecular Properties

Compound Name5-(methoxymethyl)-N,N-dimethylcyclohex-2-ene-1-carboxamide
PubChem CID143729447
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name5-(methoxymethyl)-N,N-dimethylcyclohex-2-ene-1-carboxamide
SMILESCOCC1CC=CC(C(=O)N(C)C)C1
InChIInChI=1S/C11H19NO2/c1-12(2)11(13)10-6-4-5-9(7-10)8-14-3/h4,6,9-10H,5,7-8H2,1-3H3
InChIKeyNXBMLZPNBYEDGW-UHFFFAOYSA-N
XLogP1.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-N,N-dimethylcyclohex-2-ene-1-carboxamide?
The IUPAC name of 5-(methoxymethyl)-N,N-dimethylcyclohex-2-ene-1-carboxamide (CID 143729447) is 5-(methoxymethyl)-N,N-dimethylcyclohex-2-ene-1-carboxamide.
What is the SMILES notation for 5-(methoxymethyl)-N,N-dimethylcyclohex-2-ene-1-carboxamide?
The canonical SMILES for 5-(methoxymethyl)-N,N-dimethylcyclohex-2-ene-1-carboxamide is COCC1CC=CC(C(=O)N(C)C)C1.
What is the InChIKey of 5-(methoxymethyl)-N,N-dimethylcyclohex-2-ene-1-carboxamide?
The InChIKey is NXBMLZPNBYEDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-12(2)11(13)10-6-4-5-9(7-10)8-14-3/h4,6,9-10H,5,7-8H2,1-3H3.
What are the key properties of 5-(methoxymethyl)-N,N-dimethylcyclohex-2-ene-1-carboxamide?
5-(methoxymethyl)-N,N-dimethylcyclohex-2-ene-1-carboxamide has a molecular weight of 197.28 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N,N-dimethylcyclohex-2-ene-1-carboxamide is sourced from PubChem (CID 143729447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).