6-amino-6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol

C7H11NO2 — CID 67080061

IUPAC6-amino-6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol
SMILESNC1(CO)C=CC=CC1O
InChIInChI=1S/C7H11NO2/c8-7(5-9)4-2-1-3-6(7)10/h1-4,6,9-10H,5,8H2
InChIKeyQCGKFYNUVGKWIM-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.84
Rot. Bonds1

About 6-amino-6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol

6-amino-6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol (PubChem CID 67080061) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 6-amino-6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-amino-6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol
PubChem CID67080061
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name6-amino-6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol
SMILESNC1(CO)C=CC=CC1O
InChIInChI=1S/C7H11NO2/c8-7(5-9)4-2-1-3-6(7)10/h1-4,6,9-10H,5,8H2
InChIKeyQCGKFYNUVGKWIM-UHFFFAOYSA-N
XLogP-0.84
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-amino-6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol (CID 67080061) is 6-amino-6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-amino-6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-amino-6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol is NC1(CO)C=CC=CC1O.
What is the InChIKey of 6-amino-6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol?
The InChIKey is QCGKFYNUVGKWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c8-7(5-9)4-2-1-3-6(7)10/h1-4,6,9-10H,5,8H2.
What are the key properties of 6-amino-6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol?
6-amino-6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol has a molecular weight of 141.17 g/mol, XLogP of -0.84, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 67080061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).