5-amino-2,3-dimethylcyclohexa-1,5-diene-1,4-diol

C8H13NO2 — CID 163718310

IUPAC5-amino-2,3-dimethylcyclohexa-1,5-diene-1,4-diol
SMILESCC1=C(O)C=C(N)C(O)C1C
InChIInChI=1S/C8H13NO2/c1-4-5(2)8(11)6(9)3-7(4)10/h3,5,8,10-11H,9H2,1-2H3
InChIKeyKPGXSRSGDIQYNH-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.67
Rot. Bonds

About 5-amino-2,3-dimethylcyclohexa-1,5-diene-1,4-diol

5-amino-2,3-dimethylcyclohexa-1,5-diene-1,4-diol (PubChem CID 163718310) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 5-amino-2,3-dimethylcyclohexa-1,5-diene-1,4-diol.

Molecular Properties

Compound Name5-amino-2,3-dimethylcyclohexa-1,5-diene-1,4-diol
PubChem CID163718310
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name5-amino-2,3-dimethylcyclohexa-1,5-diene-1,4-diol
SMILESCC1=C(O)C=C(N)C(O)C1C
InChIInChI=1S/C8H13NO2/c1-4-5(2)8(11)6(9)3-7(4)10/h3,5,8,10-11H,9H2,1-2H3
InChIKeyKPGXSRSGDIQYNH-UHFFFAOYSA-N
XLogP0.67
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dimethylcyclohexa-1,5-diene-1,4-diol?
The IUPAC name of 5-amino-2,3-dimethylcyclohexa-1,5-diene-1,4-diol (CID 163718310) is 5-amino-2,3-dimethylcyclohexa-1,5-diene-1,4-diol.
What is the SMILES notation for 5-amino-2,3-dimethylcyclohexa-1,5-diene-1,4-diol?
The canonical SMILES for 5-amino-2,3-dimethylcyclohexa-1,5-diene-1,4-diol is CC1=C(O)C=C(N)C(O)C1C.
What is the InChIKey of 5-amino-2,3-dimethylcyclohexa-1,5-diene-1,4-diol?
The InChIKey is KPGXSRSGDIQYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-4-5(2)8(11)6(9)3-7(4)10/h3,5,8,10-11H,9H2,1-2H3.
What are the key properties of 5-amino-2,3-dimethylcyclohexa-1,5-diene-1,4-diol?
5-amino-2,3-dimethylcyclohexa-1,5-diene-1,4-diol has a molecular weight of 155.20 g/mol, XLogP of 0.67, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-dimethylcyclohexa-1,5-diene-1,4-diol is sourced from PubChem (CID 163718310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).