3-amino-5-methylcyclohexa-3,5-diene-1,2-diol

C7H11NO2 — CID 162425810

IUPAC3-amino-5-methylcyclohexa-3,5-diene-1,2-diol
SMILESCC1=CC(O)C(O)C(N)=C1
InChIInChI=1S/C7H11NO2/c1-4-2-5(8)7(10)6(9)3-4/h2-3,6-7,9-10H,8H2,1H3
InChIKeyGGVYLLOEQISHSO-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.49
Rot. Bonds

About 3-amino-5-methylcyclohexa-3,5-diene-1,2-diol

3-amino-5-methylcyclohexa-3,5-diene-1,2-diol (PubChem CID 162425810) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 3-amino-5-methylcyclohexa-3,5-diene-1,2-diol.

Molecular Properties

Compound Name3-amino-5-methylcyclohexa-3,5-diene-1,2-diol
PubChem CID162425810
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name3-amino-5-methylcyclohexa-3,5-diene-1,2-diol
SMILESCC1=CC(O)C(O)C(N)=C1
InChIInChI=1S/C7H11NO2/c1-4-2-5(8)7(10)6(9)3-4/h2-3,6-7,9-10H,8H2,1H3
InChIKeyGGVYLLOEQISHSO-UHFFFAOYSA-N
XLogP-0.49
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methylcyclohexa-3,5-diene-1,2-diol?
The IUPAC name of 3-amino-5-methylcyclohexa-3,5-diene-1,2-diol (CID 162425810) is 3-amino-5-methylcyclohexa-3,5-diene-1,2-diol.
What is the SMILES notation for 3-amino-5-methylcyclohexa-3,5-diene-1,2-diol?
The canonical SMILES for 3-amino-5-methylcyclohexa-3,5-diene-1,2-diol is CC1=CC(O)C(O)C(N)=C1.
What is the InChIKey of 3-amino-5-methylcyclohexa-3,5-diene-1,2-diol?
The InChIKey is GGVYLLOEQISHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-4-2-5(8)7(10)6(9)3-4/h2-3,6-7,9-10H,8H2,1H3.
What are the key properties of 3-amino-5-methylcyclohexa-3,5-diene-1,2-diol?
3-amino-5-methylcyclohexa-3,5-diene-1,2-diol has a molecular weight of 141.17 g/mol, XLogP of -0.49, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methylcyclohexa-3,5-diene-1,2-diol is sourced from PubChem (CID 162425810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).