4-amino-2-methylcyclohexa-1,5-diene-1,4-diol

C7H11NO2 — CID 154521462

IUPAC4-amino-2-methylcyclohexa-1,5-diene-1,4-diol
SMILESCC1=C(O)C=CC(N)(O)C1
InChIInChI=1S/C7H11NO2/c1-5-4-7(8,10)3-2-6(5)9/h2-3,9-10H,4,8H2,1H3
InChIKeyZWNPOKPDJBDBTJ-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.43
Rot. Bonds

About 4-amino-2-methylcyclohexa-1,5-diene-1,4-diol

4-amino-2-methylcyclohexa-1,5-diene-1,4-diol (PubChem CID 154521462) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 4-amino-2-methylcyclohexa-1,5-diene-1,4-diol.

Molecular Properties

Compound Name4-amino-2-methylcyclohexa-1,5-diene-1,4-diol
PubChem CID154521462
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name4-amino-2-methylcyclohexa-1,5-diene-1,4-diol
SMILESCC1=C(O)C=CC(N)(O)C1
InChIInChI=1S/C7H11NO2/c1-5-4-7(8,10)3-2-6(5)9/h2-3,9-10H,4,8H2,1H3
InChIKeyZWNPOKPDJBDBTJ-UHFFFAOYSA-N
XLogP0.43
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 ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-amino-2-methylcyclohexa-1,5-diene-1,4-diol with MolForge

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

Launch Full Analysis

Related Compounds

4-Amino-quinol
CID 70366629
1-Amino-5-methylcyclohexa-2,4-dien-1-ol
CID 22486311
1-Amino-5,6-dimethylcyclohexa-2,4-dien-1-ol
CID 70634940
1-Amino-6-ethylcyclohexa-2,4-dien-1-ol
CID 118608328
(6S)-1-amino-6-ethylcyclohexa-2,4-dien-1-ol
CID 118608329
1-Amino-4-methylcyclohexa-2,4-dien-1-ol
CID 141564938
(4R)-4-aminocyclohexa-1,5-diene-1,4-diol
CID 151175550
(4S)-4-aminocyclohexa-1,5-diene-1,4-diol
CID 151175551
1-Amino-2,4-dimethylcyclohexa-3,5-diene-1,3-diol
CID 153777145
6,6-Diamino-2-methylcyclohexa-2,4-diene-1,1-diol
CID 154255429
1-Amino-2-methylcyclohexa-3,5-diene-1,3-diol
CID 157452226
1-Amino-6-methylcyclohexa-3,5-diene-1,3-diol
CID 157601831

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methylcyclohexa-1,5-diene-1,4-diol?
The IUPAC name of 4-amino-2-methylcyclohexa-1,5-diene-1,4-diol (CID 154521462) is 4-amino-2-methylcyclohexa-1,5-diene-1,4-diol.
What is the SMILES notation for 4-amino-2-methylcyclohexa-1,5-diene-1,4-diol?
The canonical SMILES for 4-amino-2-methylcyclohexa-1,5-diene-1,4-diol is CC1=C(O)C=CC(N)(O)C1.
What is the InChIKey of 4-amino-2-methylcyclohexa-1,5-diene-1,4-diol?
The InChIKey is ZWNPOKPDJBDBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-5-4-7(8,10)3-2-6(5)9/h2-3,9-10H,4,8H2,1H3.
What are the key properties of 4-amino-2-methylcyclohexa-1,5-diene-1,4-diol?
4-amino-2-methylcyclohexa-1,5-diene-1,4-diol has a molecular weight of 141.17 g/mol, XLogP of 0.43, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methylcyclohexa-1,5-diene-1,4-diol is sourced from PubChem (CID 154521462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).