2-hydroxy-1,2-dimethylcyclohexa-3,5-diene-1,3-dicarboxamide

C10H14N2O3 — CID 141455296

IUPAC2-hydroxy-1,2-dimethylcyclohexa-3,5-diene-1,3-dicarboxamide
SMILESCC1(O)C(C(N)=O)=CC=CC1(C)C(N)=O
InChIInChI=1S/C10H14N2O3/c1-9(8(12)14)5-3-4-6(7(11)13)10(9,2)15/h3-5,15H,1-2H3,(H2,11,13)(H2,12,14)
InChIKeyUCZMFKNNVLTAFO-UHFFFAOYSA-N
MW210.23 g/mol
LogP-0.79
Rot. Bonds2

About 2-hydroxy-1,2-dimethylcyclohexa-3,5-diene-1,3-dicarboxamide

2-hydroxy-1,2-dimethylcyclohexa-3,5-diene-1,3-dicarboxamide (PubChem CID 141455296) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-hydroxy-1,2-dimethylcyclohexa-3,5-diene-1,3-dicarboxamide.

Molecular Properties

Compound Name2-hydroxy-1,2-dimethylcyclohexa-3,5-diene-1,3-dicarboxamide
PubChem CID141455296
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-hydroxy-1,2-dimethylcyclohexa-3,5-diene-1,3-dicarboxamide
SMILESCC1(O)C(C(N)=O)=CC=CC1(C)C(N)=O
InChIInChI=1S/C10H14N2O3/c1-9(8(12)14)5-3-4-6(7(11)13)10(9,2)15/h3-5,15H,1-2H3,(H2,11,13)(H2,12,14)
InChIKeyUCZMFKNNVLTAFO-UHFFFAOYSA-N
XLogP-0.79
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1,2-dimethylcyclohexa-3,5-diene-1,3-dicarboxamide?
The IUPAC name of 2-hydroxy-1,2-dimethylcyclohexa-3,5-diene-1,3-dicarboxamide (CID 141455296) is 2-hydroxy-1,2-dimethylcyclohexa-3,5-diene-1,3-dicarboxamide.
What is the SMILES notation for 2-hydroxy-1,2-dimethylcyclohexa-3,5-diene-1,3-dicarboxamide?
The canonical SMILES for 2-hydroxy-1,2-dimethylcyclohexa-3,5-diene-1,3-dicarboxamide is CC1(O)C(C(N)=O)=CC=CC1(C)C(N)=O.
What is the InChIKey of 2-hydroxy-1,2-dimethylcyclohexa-3,5-diene-1,3-dicarboxamide?
The InChIKey is UCZMFKNNVLTAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-9(8(12)14)5-3-4-6(7(11)13)10(9,2)15/h3-5,15H,1-2H3,(H2,11,13)(H2,12,14).
What are the key properties of 2-hydroxy-1,2-dimethylcyclohexa-3,5-diene-1,3-dicarboxamide?
2-hydroxy-1,2-dimethylcyclohexa-3,5-diene-1,3-dicarboxamide has a molecular weight of 210.23 g/mol, XLogP of -0.79, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1,2-dimethylcyclohexa-3,5-diene-1,3-dicarboxamide is sourced from PubChem (CID 141455296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).