1-amino-5-methylcyclohexa-2,4-dien-1-ol

C7H11NO — CID 22486311

IUPAC1-amino-5-methylcyclohexa-2,4-dien-1-ol
SMILESCC1=CC=CC(N)(O)C1
InChIInChI=1S/C7H11NO/c1-6-3-2-4-7(8,9)5-6/h2-4,9H,5,8H2,1H3
InChIKeyHITZWIJGBQRJQU-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.54
Rot. Bonds

About 1-amino-5-methylcyclohexa-2,4-dien-1-ol

1-amino-5-methylcyclohexa-2,4-dien-1-ol (PubChem CID 22486311) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-amino-5-methylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1-amino-5-methylcyclohexa-2,4-dien-1-ol
PubChem CID22486311
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name1-amino-5-methylcyclohexa-2,4-dien-1-ol
SMILESCC1=CC=CC(N)(O)C1
InChIInChI=1S/C7H11NO/c1-6-3-2-4-7(8,9)5-6/h2-4,9H,5,8H2,1H3
InChIKeyHITZWIJGBQRJQU-UHFFFAOYSA-N
XLogP0.54
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 ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

c1-Aminophenol
CID 20474799
1-Hydroxy 4-isopropylaniline
CID 129853725
1-Amino-6-methylcyclohexa-2,4-dien-1-ol
CID 23047997
1,6-Diamino-5,6-dimethylcyclohexa-2,4-dien-1-ol
CID 68126746
1-Amino-3,6-dimethylcyclohexa-2,4-dien-1-ol
CID 70634740
1-Amino-5,6-dimethylcyclohexa-2,4-dien-1-ol
CID 70634940
4-Amino-5-prop-2-enylnona-1,5,8-trien-4-ol
CID 87839218
(3E,4Z)-2-amino-3-(1-aminobutylidene)-5-methylhepta-4,6-dien-2-ol
CID 89017359
1-Amino-6-ethylcyclohexa-2,4-dien-1-ol
CID 118608328
(6S)-1-amino-6-ethylcyclohexa-2,4-dien-1-ol
CID 118608329
(3E,7Z)-5-amino-4-ethenyl-6-methylidenedeca-1,3,7,9-tetraen-5-ol
CID 129201664
2-amino-3H-naphthalen-2-ol
CID 129668562

Frequently Asked Questions

What is the IUPAC name of 1-amino-5-methylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 1-amino-5-methylcyclohexa-2,4-dien-1-ol (CID 22486311) is 1-amino-5-methylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1-amino-5-methylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1-amino-5-methylcyclohexa-2,4-dien-1-ol is CC1=CC=CC(N)(O)C1.
What is the InChIKey of 1-amino-5-methylcyclohexa-2,4-dien-1-ol?
The InChIKey is HITZWIJGBQRJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-6-3-2-4-7(8,9)5-6/h2-4,9H,5,8H2,1H3.
What are the key properties of 1-amino-5-methylcyclohexa-2,4-dien-1-ol?
1-amino-5-methylcyclohexa-2,4-dien-1-ol has a molecular weight of 125.17 g/mol, XLogP of 0.54, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-methylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 22486311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).