cyclohexene-1,3-dicarboxamide

C8H12N2O2 — CID 67852299

IUPACcyclohexene-1,3-dicarboxamide
SMILESNC(=O)C1=CC(C(N)=O)CCC1
InChIInChI=1S/C8H12N2O2/c9-7(11)5-2-1-3-6(4-5)8(10)12/h4-5H,1-3H2,(H2,9,11)(H2,10,12)
InChIKeyUHVZZZNOWSBGJP-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.32
Rot. Bonds2

About cyclohexene-1,3-dicarboxamide

cyclohexene-1,3-dicarboxamide (PubChem CID 67852299) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is cyclohexene-1,3-dicarboxamide.

Molecular Properties

Compound Namecyclohexene-1,3-dicarboxamide
PubChem CID67852299
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Namecyclohexene-1,3-dicarboxamide
SMILESNC(=O)C1=CC(C(N)=O)CCC1
InChIInChI=1S/C8H12N2O2/c9-7(11)5-2-1-3-6(4-5)8(10)12/h4-5H,1-3H2,(H2,9,11)(H2,10,12)
InChIKeyUHVZZZNOWSBGJP-UHFFFAOYSA-N
XLogP-0.32
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 ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexene-1,3-dicarboxamide?
The IUPAC name of cyclohexene-1,3-dicarboxamide (CID 67852299) is cyclohexene-1,3-dicarboxamide.
What is the SMILES notation for cyclohexene-1,3-dicarboxamide?
The canonical SMILES for cyclohexene-1,3-dicarboxamide is NC(=O)C1=CC(C(N)=O)CCC1.
What is the InChIKey of cyclohexene-1,3-dicarboxamide?
The InChIKey is UHVZZZNOWSBGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c9-7(11)5-2-1-3-6(4-5)8(10)12/h4-5H,1-3H2,(H2,9,11)(H2,10,12).
What are the key properties of cyclohexene-1,3-dicarboxamide?
cyclohexene-1,3-dicarboxamide has a molecular weight of 168.20 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexene-1,3-dicarboxamide is sourced from PubChem (CID 67852299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).