5,6-dihydroxy-5,6-dimethylcyclohexa-1,3-diene-1-carboxamide

C9H13NO3 — CID 66707715

IUPAC5,6-dihydroxy-5,6-dimethylcyclohexa-1,3-diene-1-carboxamide
SMILESCC1(O)C=CC=C(C(N)=O)C1(C)O
InChIInChI=1S/C9H13NO3/c1-8(12)5-3-4-6(7(10)11)9(8,2)13/h3-5,12-13H,1-2H3,(H2,10,11)
InChIKeyGENZSSXYAPDLEL-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.53
Rot. Bonds1

About 5,6-dihydroxy-5,6-dimethylcyclohexa-1,3-diene-1-carboxamide

5,6-dihydroxy-5,6-dimethylcyclohexa-1,3-diene-1-carboxamide (PubChem CID 66707715) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 5,6-dihydroxy-5,6-dimethylcyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name5,6-dihydroxy-5,6-dimethylcyclohexa-1,3-diene-1-carboxamide
PubChem CID66707715
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name5,6-dihydroxy-5,6-dimethylcyclohexa-1,3-diene-1-carboxamide
SMILESCC1(O)C=CC=C(C(N)=O)C1(C)O
InChIInChI=1S/C9H13NO3/c1-8(12)5-3-4-6(7(10)11)9(8,2)13/h3-5,12-13H,1-2H3,(H2,10,11)
InChIKeyGENZSSXYAPDLEL-UHFFFAOYSA-N
XLogP-0.53
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydroxy-5,6-dimethylcyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 5,6-dihydroxy-5,6-dimethylcyclohexa-1,3-diene-1-carboxamide (CID 66707715) is 5,6-dihydroxy-5,6-dimethylcyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 5,6-dihydroxy-5,6-dimethylcyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 5,6-dihydroxy-5,6-dimethylcyclohexa-1,3-diene-1-carboxamide is CC1(O)C=CC=C(C(N)=O)C1(C)O.
What is the InChIKey of 5,6-dihydroxy-5,6-dimethylcyclohexa-1,3-diene-1-carboxamide?
The InChIKey is GENZSSXYAPDLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-8(12)5-3-4-6(7(10)11)9(8,2)13/h3-5,12-13H,1-2H3,(H2,10,11).
What are the key properties of 5,6-dihydroxy-5,6-dimethylcyclohexa-1,3-diene-1-carboxamide?
5,6-dihydroxy-5,6-dimethylcyclohexa-1,3-diene-1-carboxamide has a molecular weight of 183.21 g/mol, XLogP of -0.53, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydroxy-5,6-dimethylcyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 66707715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).