2-N-methylcyclohex-4-ene-1,2-dicarboxamide

C9H14N2O2 — CID 68669248

IUPAC2-N-methylcyclohex-4-ene-1,2-dicarboxamide
SMILESCNC(=O)C1CC=CCC1C(N)=O
InChIInChI=1S/C9H14N2O2/c1-11-9(13)7-5-3-2-4-6(7)8(10)12/h2-3,6-7H,4-5H2,1H3,(H2,10,12)(H,11,13)
InChIKeyXGUYLACMEUHWHH-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.20
Rot. Bonds2

About 2-N-methylcyclohex-4-ene-1,2-dicarboxamide

2-N-methylcyclohex-4-ene-1,2-dicarboxamide (PubChem CID 68669248) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-N-methylcyclohex-4-ene-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-methylcyclohex-4-ene-1,2-dicarboxamide
PubChem CID68669248
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-N-methylcyclohex-4-ene-1,2-dicarboxamide
SMILESCNC(=O)C1CC=CCC1C(N)=O
InChIInChI=1S/C9H14N2O2/c1-11-9(13)7-5-3-2-4-6(7)8(10)12/h2-3,6-7H,4-5H2,1H3,(H2,10,12)(H,11,13)
InChIKeyXGUYLACMEUHWHH-UHFFFAOYSA-N
XLogP-0.20
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
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 2-N-methylcyclohex-4-ene-1,2-dicarboxamide?
The IUPAC name of 2-N-methylcyclohex-4-ene-1,2-dicarboxamide (CID 68669248) is 2-N-methylcyclohex-4-ene-1,2-dicarboxamide.
What is the SMILES notation for 2-N-methylcyclohex-4-ene-1,2-dicarboxamide?
The canonical SMILES for 2-N-methylcyclohex-4-ene-1,2-dicarboxamide is CNC(=O)C1CC=CCC1C(N)=O.
What is the InChIKey of 2-N-methylcyclohex-4-ene-1,2-dicarboxamide?
The InChIKey is XGUYLACMEUHWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-11-9(13)7-5-3-2-4-6(7)8(10)12/h2-3,6-7H,4-5H2,1H3,(H2,10,12)(H,11,13).
What are the key properties of 2-N-methylcyclohex-4-ene-1,2-dicarboxamide?
2-N-methylcyclohex-4-ene-1,2-dicarboxamide has a molecular weight of 182.22 g/mol, XLogP of -0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methylcyclohex-4-ene-1,2-dicarboxamide is sourced from PubChem (CID 68669248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).