5-aminocyclohexa-3,5-diene-1,3-diol

C6H9NO2 — CID 89298089

IUPAC5-aminocyclohexa-3,5-diene-1,3-diol
SMILESNC1=CC(O)CC(O)=C1
InChIInChI=1S/C6H9NO2/c7-4-1-5(8)3-6(9)2-4/h1-2,5,8-9H,3,7H2
InChIKeyZBLKEKBCCFTIRX-UHFFFAOYSA-N
MW127.14 g/mol
LogP0.04
Rot. Bonds

About 5-aminocyclohexa-3,5-diene-1,3-diol

5-aminocyclohexa-3,5-diene-1,3-diol (PubChem CID 89298089) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 5-aminocyclohexa-3,5-diene-1,3-diol.

Molecular Properties

Compound Name5-aminocyclohexa-3,5-diene-1,3-diol
PubChem CID89298089
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name5-aminocyclohexa-3,5-diene-1,3-diol
SMILESNC1=CC(O)CC(O)=C1
InChIInChI=1S/C6H9NO2/c7-4-1-5(8)3-6(9)2-4/h1-2,5,8-9H,3,7H2
InChIKeyZBLKEKBCCFTIRX-UHFFFAOYSA-N
XLogP0.04
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-aminocyclohexa-3,5-diene-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-aminocyclohexa-3,5-diene-1,3-diol?
The IUPAC name of 5-aminocyclohexa-3,5-diene-1,3-diol (CID 89298089) is 5-aminocyclohexa-3,5-diene-1,3-diol.
What is the SMILES notation for 5-aminocyclohexa-3,5-diene-1,3-diol?
The canonical SMILES for 5-aminocyclohexa-3,5-diene-1,3-diol is NC1=CC(O)CC(O)=C1.
What is the InChIKey of 5-aminocyclohexa-3,5-diene-1,3-diol?
The InChIKey is ZBLKEKBCCFTIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c7-4-1-5(8)3-6(9)2-4/h1-2,5,8-9H,3,7H2.
What are the key properties of 5-aminocyclohexa-3,5-diene-1,3-diol?
5-aminocyclohexa-3,5-diene-1,3-diol has a molecular weight of 127.14 g/mol, XLogP of 0.04, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminocyclohexa-3,5-diene-1,3-diol is sourced from PubChem (CID 89298089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).