6-amino-6-methylcyclohexa-2,4-diene-1,2-diol

C7H11NO2 — CID 172860341

IUPAC6-amino-6-methylcyclohexa-2,4-diene-1,2-diol
SMILESCC1(N)C=CC=C(O)C1O
InChIInChI=1S/C7H11NO2/c1-7(8)4-2-3-5(9)6(7)10/h2-4,6,9-10H,8H2,1H3
InChIKeyZGNWDHHALLDFOZ-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.08
Rot. Bonds

About 6-amino-6-methylcyclohexa-2,4-diene-1,2-diol

6-amino-6-methylcyclohexa-2,4-diene-1,2-diol (PubChem CID 172860341) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 6-amino-6-methylcyclohexa-2,4-diene-1,2-diol.

Molecular Properties

Compound Name6-amino-6-methylcyclohexa-2,4-diene-1,2-diol
PubChem CID172860341
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name6-amino-6-methylcyclohexa-2,4-diene-1,2-diol
SMILESCC1(N)C=CC=C(O)C1O
InChIInChI=1S/C7H11NO2/c1-7(8)4-2-3-5(9)6(7)10/h2-4,6,9-10H,8H2,1H3
InChIKeyZGNWDHHALLDFOZ-UHFFFAOYSA-N
XLogP0.08
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 ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-6-methylcyclohexa-2,4-diene-1,2-diol?
The IUPAC name of 6-amino-6-methylcyclohexa-2,4-diene-1,2-diol (CID 172860341) is 6-amino-6-methylcyclohexa-2,4-diene-1,2-diol.
What is the SMILES notation for 6-amino-6-methylcyclohexa-2,4-diene-1,2-diol?
The canonical SMILES for 6-amino-6-methylcyclohexa-2,4-diene-1,2-diol is CC1(N)C=CC=C(O)C1O.
What is the InChIKey of 6-amino-6-methylcyclohexa-2,4-diene-1,2-diol?
The InChIKey is ZGNWDHHALLDFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-7(8)4-2-3-5(9)6(7)10/h2-4,6,9-10H,8H2,1H3.
What are the key properties of 6-amino-6-methylcyclohexa-2,4-diene-1,2-diol?
6-amino-6-methylcyclohexa-2,4-diene-1,2-diol has a molecular weight of 141.17 g/mol, XLogP of 0.08, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-6-methylcyclohexa-2,4-diene-1,2-diol is sourced from PubChem (CID 172860341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).