5,6-dimethyl-3-methylideneoxonane-2-carboxamide

C12H21NO2 — CID 170440754

IUPAC5,6-dimethyl-3-methylideneoxonane-2-carboxamide
SMILESC=C1CC(C)C(C)CCCOC1C(N)=O
InChIInChI=1S/C12H21NO2/c1-8-5-4-6-15-11(12(13)14)10(3)7-9(8)2/h8-9,11H,3-7H2,1-2H3,(H2,13,14)
InChIKeySSBMYUDPRHVQIS-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.87
Rot. Bonds1

About 5,6-dimethyl-3-methylideneoxonane-2-carboxamide

5,6-dimethyl-3-methylideneoxonane-2-carboxamide (PubChem CID 170440754) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 5,6-dimethyl-3-methylideneoxonane-2-carboxamide.

Molecular Properties

Compound Name5,6-dimethyl-3-methylideneoxonane-2-carboxamide
PubChem CID170440754
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name5,6-dimethyl-3-methylideneoxonane-2-carboxamide
SMILESC=C1CC(C)C(C)CCCOC1C(N)=O
InChIInChI=1S/C12H21NO2/c1-8-5-4-6-15-11(12(13)14)10(3)7-9(8)2/h8-9,11H,3-7H2,1-2H3,(H2,13,14)
InChIKeySSBMYUDPRHVQIS-UHFFFAOYSA-N
XLogP1.87
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5,6-dimethyl-3-methylideneoxonane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-methylideneoxonane-2-carboxamide?
The IUPAC name of 5,6-dimethyl-3-methylideneoxonane-2-carboxamide (CID 170440754) is 5,6-dimethyl-3-methylideneoxonane-2-carboxamide.
What is the SMILES notation for 5,6-dimethyl-3-methylideneoxonane-2-carboxamide?
The canonical SMILES for 5,6-dimethyl-3-methylideneoxonane-2-carboxamide is C=C1CC(C)C(C)CCCOC1C(N)=O.
What is the InChIKey of 5,6-dimethyl-3-methylideneoxonane-2-carboxamide?
The InChIKey is SSBMYUDPRHVQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-8-5-4-6-15-11(12(13)14)10(3)7-9(8)2/h8-9,11H,3-7H2,1-2H3,(H2,13,14).
What are the key properties of 5,6-dimethyl-3-methylideneoxonane-2-carboxamide?
5,6-dimethyl-3-methylideneoxonane-2-carboxamide has a molecular weight of 211.30 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-methylideneoxonane-2-carboxamide is sourced from PubChem (CID 170440754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).