2-N-methylcyclohexa-2,6-diene-1,2-dicarboxamide

C9H12N2O2 — CID 89268784

IUPAC2-N-methylcyclohexa-2,6-diene-1,2-dicarboxamide
SMILESCNC(=O)C1=CCCC=C1C(N)=O
InChIInChI=1S/C9H12N2O2/c1-11-9(13)7-5-3-2-4-6(7)8(10)12/h4-5H,2-3H2,1H3,(H2,10,12)(H,11,13)
InChIKeyXBXZVHKNNRPQGX-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.14
Rot. Bonds2

About 2-N-methylcyclohexa-2,6-diene-1,2-dicarboxamide

2-N-methylcyclohexa-2,6-diene-1,2-dicarboxamide (PubChem CID 89268784) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-N-methylcyclohexa-2,6-diene-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-methylcyclohexa-2,6-diene-1,2-dicarboxamide
PubChem CID89268784
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-N-methylcyclohexa-2,6-diene-1,2-dicarboxamide
SMILESCNC(=O)C1=CCCC=C1C(N)=O
InChIInChI=1S/C9H12N2O2/c1-11-9(13)7-5-3-2-4-6(7)8(10)12/h4-5H,2-3H2,1H3,(H2,10,12)(H,11,13)
InChIKeyXBXZVHKNNRPQGX-UHFFFAOYSA-N
XLogP-0.14
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-methylcyclohexa-2,6-diene-1,2-dicarboxamide?
The IUPAC name of 2-N-methylcyclohexa-2,6-diene-1,2-dicarboxamide (CID 89268784) is 2-N-methylcyclohexa-2,6-diene-1,2-dicarboxamide.
What is the SMILES notation for 2-N-methylcyclohexa-2,6-diene-1,2-dicarboxamide?
The canonical SMILES for 2-N-methylcyclohexa-2,6-diene-1,2-dicarboxamide is CNC(=O)C1=CCCC=C1C(N)=O.
What is the InChIKey of 2-N-methylcyclohexa-2,6-diene-1,2-dicarboxamide?
The InChIKey is XBXZVHKNNRPQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-11-9(13)7-5-3-2-4-6(7)8(10)12/h4-5H,2-3H2,1H3,(H2,10,12)(H,11,13).
What are the key properties of 2-N-methylcyclohexa-2,6-diene-1,2-dicarboxamide?
2-N-methylcyclohexa-2,6-diene-1,2-dicarboxamide has a molecular weight of 180.21 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methylcyclohexa-2,6-diene-1,2-dicarboxamide is sourced from PubChem (CID 89268784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).