cyclohex-3-ene-1,2-dicarboxamide

C8H12N2O2 — CID 23502542

IUPACcyclohex-3-ene-1,2-dicarboxamide
SMILESNC(=O)C1C=CCCC1C(N)=O
InChIInChI=1S/C8H12N2O2/c9-7(11)5-3-1-2-4-6(5)8(10)12/h1,3,5-6H,2,4H2,(H2,9,11)(H2,10,12)
InChIKeyOBDHDEWJGUTWOK-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.46
Rot. Bonds2

About cyclohex-3-ene-1,2-dicarboxamide

cyclohex-3-ene-1,2-dicarboxamide (PubChem CID 23502542) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is cyclohex-3-ene-1,2-dicarboxamide.

Molecular Properties

Compound Namecyclohex-3-ene-1,2-dicarboxamide
PubChem CID23502542
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Namecyclohex-3-ene-1,2-dicarboxamide
SMILESNC(=O)C1C=CCCC1C(N)=O
InChIInChI=1S/C8H12N2O2/c9-7(11)5-3-1-2-4-6(5)8(10)12/h1,3,5-6H,2,4H2,(H2,9,11)(H2,10,12)
InChIKeyOBDHDEWJGUTWOK-UHFFFAOYSA-N
XLogP-0.46
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.46
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 cyclohex-3-ene-1,2-dicarboxamide?
The IUPAC name of cyclohex-3-ene-1,2-dicarboxamide (CID 23502542) is cyclohex-3-ene-1,2-dicarboxamide.
What is the SMILES notation for cyclohex-3-ene-1,2-dicarboxamide?
The canonical SMILES for cyclohex-3-ene-1,2-dicarboxamide is NC(=O)C1C=CCCC1C(N)=O.
What is the InChIKey of cyclohex-3-ene-1,2-dicarboxamide?
The InChIKey is OBDHDEWJGUTWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c9-7(11)5-3-1-2-4-6(5)8(10)12/h1,3,5-6H,2,4H2,(H2,9,11)(H2,10,12).
What are the key properties of cyclohex-3-ene-1,2-dicarboxamide?
cyclohex-3-ene-1,2-dicarboxamide has a molecular weight of 168.20 g/mol, XLogP of -0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-ene-1,2-dicarboxamide is sourced from PubChem (CID 23502542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).