4-amino-5-methylcyclohexa-1,3-dien-1-ol

C7H11NO — CID 154542122

IUPAC4-amino-5-methylcyclohexa-1,3-dien-1-ol
SMILESCC1CC(O)=CC=C1N
InChIInChI=1S/C7H11NO/c1-5-4-6(9)2-3-7(5)8/h2-3,5,9H,4,8H2,1H3
InChIKeyYIIMENNOFQSXHE-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.31
Rot. Bonds

About 4-amino-5-methylcyclohexa-1,3-dien-1-ol

4-amino-5-methylcyclohexa-1,3-dien-1-ol (PubChem CID 154542122) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 4-amino-5-methylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name4-amino-5-methylcyclohexa-1,3-dien-1-ol
PubChem CID154542122
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name4-amino-5-methylcyclohexa-1,3-dien-1-ol
SMILESCC1CC(O)=CC=C1N
InChIInChI=1S/C7H11NO/c1-5-4-6(9)2-3-7(5)8/h2-3,5,9H,4,8H2,1H3
InChIKeyYIIMENNOFQSXHE-UHFFFAOYSA-N
XLogP1.31
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-Diamino-o-kresol
CID 70636234
4-Amino-6-fluorocyclohexa-1,3-dien-1-ol
CID 118297290
4-Amino-3-fluoro-5-methylcyclohexa-1,3-dien-1-ol
CID 143768450
4-Amino-2-fluorocyclohexa-1,3-dien-1-ol
CID 144262840
4-Amino-3-fluorocyclohexa-1,3-dien-1-ol
CID 145611807
4-Aminocyclohexa-1,3-dien-1-ol
CID 20556824
3-Aminocyclohexa-1,3-dien-1-ol
CID 22164043
6-[(Z)-1-aminoprop-1-enyl]cyclohexa-1,3-dien-1-ol
CID 67962900
4-Amino-2-methylcyclohexa-1,3-dien-1-ol
CID 89152195
(2E,4E)-5-amino-3,6-dimethylocta-2,4-dien-2-ol
CID 130391029
(3Z)-5-amino-2-methylhexa-3,5-dien-3-ol
CID 137384297
4-Aminocyclohexa-1,3-dien-1-ol;ethane
CID 141769449

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 4-amino-5-methylcyclohexa-1,3-dien-1-ol (CID 154542122) is 4-amino-5-methylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 4-amino-5-methylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 4-amino-5-methylcyclohexa-1,3-dien-1-ol is CC1CC(O)=CC=C1N.
What is the InChIKey of 4-amino-5-methylcyclohexa-1,3-dien-1-ol?
The InChIKey is YIIMENNOFQSXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-5-4-6(9)2-3-7(5)8/h2-3,5,9H,4,8H2,1H3.
What are the key properties of 4-amino-5-methylcyclohexa-1,3-dien-1-ol?
4-amino-5-methylcyclohexa-1,3-dien-1-ol has a molecular weight of 125.17 g/mol, XLogP of 1.31, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 154542122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).