6-amino-5-methoxy-6-methylcyclohexa-1,3-dien-1-ol

C8H13NO2 — CID 175197926

IUPAC6-amino-5-methoxy-6-methylcyclohexa-1,3-dien-1-ol
SMILESCOC1C=CC=C(O)C1(C)N
InChIInChI=1S/C8H13NO2/c1-8(9)6(10)4-3-5-7(8)11-2/h3-5,7,10H,9H2,1-2H3
InChIKeyNAAMAXSDDFJCQG-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.73
Rot. Bonds1

About 6-amino-5-methoxy-6-methylcyclohexa-1,3-dien-1-ol

6-amino-5-methoxy-6-methylcyclohexa-1,3-dien-1-ol (PubChem CID 175197926) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 6-amino-5-methoxy-6-methylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name6-amino-5-methoxy-6-methylcyclohexa-1,3-dien-1-ol
PubChem CID175197926
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name6-amino-5-methoxy-6-methylcyclohexa-1,3-dien-1-ol
SMILESCOC1C=CC=C(O)C1(C)N
InChIInChI=1S/C8H13NO2/c1-8(9)6(10)4-3-5-7(8)11-2/h3-5,7,10H,9H2,1-2H3
InChIKeyNAAMAXSDDFJCQG-UHFFFAOYSA-N
XLogP0.73
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-methoxy-6-methylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 6-amino-5-methoxy-6-methylcyclohexa-1,3-dien-1-ol (CID 175197926) is 6-amino-5-methoxy-6-methylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 6-amino-5-methoxy-6-methylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 6-amino-5-methoxy-6-methylcyclohexa-1,3-dien-1-ol is COC1C=CC=C(O)C1(C)N.
What is the InChIKey of 6-amino-5-methoxy-6-methylcyclohexa-1,3-dien-1-ol?
The InChIKey is NAAMAXSDDFJCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-8(9)6(10)4-3-5-7(8)11-2/h3-5,7,10H,9H2,1-2H3.
What are the key properties of 6-amino-5-methoxy-6-methylcyclohexa-1,3-dien-1-ol?
6-amino-5-methoxy-6-methylcyclohexa-1,3-dien-1-ol has a molecular weight of 155.20 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-methoxy-6-methylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 175197926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).