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

C10H16N2O2 — CID 123699570

IUPAC2-N-ethylcyclohex-4-ene-1,2-dicarboxamide
SMILESCCNC(=O)C1CC=CCC1C(N)=O
InChIInChI=1S/C10H16N2O2/c1-2-12-10(14)8-6-4-3-5-7(8)9(11)13/h3-4,7-8H,2,5-6H2,1H3,(H2,11,13)(H,12,14)
InChIKeyZRTOWOWSNDUXHF-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.19
Rot. Bonds3

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

2-N-ethylcyclohex-4-ene-1,2-dicarboxamide (PubChem CID 123699570) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-N-ethylcyclohex-4-ene-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-ethylcyclohex-4-ene-1,2-dicarboxamide
PubChem CID123699570
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-N-ethylcyclohex-4-ene-1,2-dicarboxamide
SMILESCCNC(=O)C1CC=CCC1C(N)=O
InChIInChI=1S/C10H16N2O2/c1-2-12-10(14)8-6-4-3-5-7(8)9(11)13/h3-4,7-8H,2,5-6H2,1H3,(H2,11,13)(H,12,14)
InChIKeyZRTOWOWSNDUXHF-UHFFFAOYSA-N
XLogP0.19
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.19
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-ethylcyclohex-4-ene-1,2-dicarboxamide?
The IUPAC name of 2-N-ethylcyclohex-4-ene-1,2-dicarboxamide (CID 123699570) is 2-N-ethylcyclohex-4-ene-1,2-dicarboxamide.
What is the SMILES notation for 2-N-ethylcyclohex-4-ene-1,2-dicarboxamide?
The canonical SMILES for 2-N-ethylcyclohex-4-ene-1,2-dicarboxamide is CCNC(=O)C1CC=CCC1C(N)=O.
What is the InChIKey of 2-N-ethylcyclohex-4-ene-1,2-dicarboxamide?
The InChIKey is ZRTOWOWSNDUXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-2-12-10(14)8-6-4-3-5-7(8)9(11)13/h3-4,7-8H,2,5-6H2,1H3,(H2,11,13)(H,12,14).
What are the key properties of 2-N-ethylcyclohex-4-ene-1,2-dicarboxamide?
2-N-ethylcyclohex-4-ene-1,2-dicarboxamide has a molecular weight of 196.25 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethylcyclohex-4-ene-1,2-dicarboxamide is sourced from PubChem (CID 123699570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).