(1R)-4-aminocyclohexa-2,4-dien-1-ol

C6H9NO — CID 89474033

IUPAC(1R)-4-aminocyclohexa-2,4-dien-1-ol
SMILESNC1=CC[C@@H](O)C=C1
InChIInChI=1S/C6H9NO/c7-5-1-3-6(8)4-2-5/h1-3,6,8H,4,7H2/t6-/m0/s1
InChIKeyMHQAANOFHCCCHP-LURJTMIESA-N
MW111.14 g/mol
LogP0.15
Rot. Bonds

About (1R)-4-aminocyclohexa-2,4-dien-1-ol

(1R)-4-aminocyclohexa-2,4-dien-1-ol (PubChem CID 89474033) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is (1R)-4-aminocyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name(1R)-4-aminocyclohexa-2,4-dien-1-ol
PubChem CID89474033
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name(1R)-4-aminocyclohexa-2,4-dien-1-ol
SMILESNC1=CC[C@@H](O)C=C1
InChIInChI=1S/C6H9NO/c7-5-1-3-6(8)4-2-5/h1-3,6,8H,4,7H2/t6-/m0/s1
InChIKeyMHQAANOFHCCCHP-LURJTMIESA-N
XLogP0.15
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 ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R)-4-aminocyclohexa-2,4-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 (1R)-4-aminocyclohexa-2,4-dien-1-ol?
The IUPAC name of (1R)-4-aminocyclohexa-2,4-dien-1-ol (CID 89474033) is (1R)-4-aminocyclohexa-2,4-dien-1-ol.
What is the SMILES notation for (1R)-4-aminocyclohexa-2,4-dien-1-ol?
The canonical SMILES for (1R)-4-aminocyclohexa-2,4-dien-1-ol is NC1=CC[C@@H](O)C=C1.
What is the InChIKey of (1R)-4-aminocyclohexa-2,4-dien-1-ol?
The InChIKey is MHQAANOFHCCCHP-LURJTMIESA-N. The full InChI is InChI=1S/C6H9NO/c7-5-1-3-6(8)4-2-5/h1-3,6,8H,4,7H2/t6-/m0/s1.
What are the key properties of (1R)-4-aminocyclohexa-2,4-dien-1-ol?
(1R)-4-aminocyclohexa-2,4-dien-1-ol has a molecular weight of 111.14 g/mol, XLogP of 0.15, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-aminocyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 89474033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).