(4R)-4-aminocyclohexa-1,5-dien-1-ol

C6H9NO — CID 67126355

IUPAC(4R)-4-aminocyclohexa-1,5-dien-1-ol
SMILESN[C@H]1C=CC(O)=CC1
InChIInChI=1S/C6H9NO/c7-5-1-3-6(8)4-2-5/h1,3-5,8H,2,7H2/t5-/m0/s1
InChIKeyWFBCDBFSWVQFTD-YFKPBYRVSA-N
MW111.14 g/mol
LogP0.72
Rot. Bonds

About (4R)-4-aminocyclohexa-1,5-dien-1-ol

(4R)-4-aminocyclohexa-1,5-dien-1-ol (PubChem CID 67126355) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is (4R)-4-aminocyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name(4R)-4-aminocyclohexa-1,5-dien-1-ol
PubChem CID67126355
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name(4R)-4-aminocyclohexa-1,5-dien-1-ol
SMILESN[C@H]1C=CC(O)=CC1
InChIInChI=1S/C6H9NO/c7-5-1-3-6(8)4-2-5/h1,3-5,8H,2,7H2/t5-/m0/s1
InChIKeyWFBCDBFSWVQFTD-YFKPBYRVSA-N
XLogP0.72
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (4R)-4-aminocyclohexa-1,5-dien-1-ol 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 (4R)-4-aminocyclohexa-1,5-dien-1-ol?
The IUPAC name of (4R)-4-aminocyclohexa-1,5-dien-1-ol (CID 67126355) is (4R)-4-aminocyclohexa-1,5-dien-1-ol.
What is the SMILES notation for (4R)-4-aminocyclohexa-1,5-dien-1-ol?
The canonical SMILES for (4R)-4-aminocyclohexa-1,5-dien-1-ol is N[C@H]1C=CC(O)=CC1.
What is the InChIKey of (4R)-4-aminocyclohexa-1,5-dien-1-ol?
The InChIKey is WFBCDBFSWVQFTD-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H9NO/c7-5-1-3-6(8)4-2-5/h1,3-5,8H,2,7H2/t5-/m0/s1.
What are the key properties of (4R)-4-aminocyclohexa-1,5-dien-1-ol?
(4R)-4-aminocyclohexa-1,5-dien-1-ol has a molecular weight of 111.14 g/mol, XLogP of 0.72, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-aminocyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 67126355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).