benzene-1,2-diol;methanamine

C7H11NO2 — CID 159187656

IUPACbenzene-1,2-diol;methanamine
SMILESCN.Oc1ccccc1O
InChIInChI=1S/C6H6O2.CH5N/c7-5-3-1-2-4-6(5)8;1-2/h1-4,7-8H;2H2,1H3
InChIKeyKNRQYXMAYRKDIP-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.67
Rot. Bonds

About benzene-1,2-diol;methanamine

benzene-1,2-diol;methanamine (PubChem CID 159187656) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is benzene-1,2-diol;methanamine.

Molecular Properties

Compound Namebenzene-1,2-diol;methanamine
PubChem CID159187656
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Namebenzene-1,2-diol;methanamine
SMILESCN.Oc1ccccc1O
InChIInChI=1S/C6H6O2.CH5N/c7-5-3-1-2-4-6(5)8;1-2/h1-4,7-8H;2H2,1H3
InChIKeyKNRQYXMAYRKDIP-UHFFFAOYSA-N
XLogP0.67
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 ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

Catechol
CID 289
4-Fluoro-1,2-benzenediol
CID 160458
3-Fluorocatechol
CID 67764
Pyrocatechol sulfate
CID 3083879
3-Iodobenzene-1,2-diol
CID 18615965
3,5-Difluoro-1,2-benzenediol
CID 21707933
(2-Hydroxyphenoxy)phenylmercury
CID 16684354
Catechol-d4
CID 10630461
3,4-Difluorobenzene-1,2-diol
CID 10034755
2-Hydroxyphenolate
CID 11953850
1,2-Benzenediol, sodium salt (1:?)
CID 23688911
Catechol Formaldehyde
CID 18958611

Frequently Asked Questions

What is the IUPAC name of benzene-1,2-diol;methanamine?
The IUPAC name of benzene-1,2-diol;methanamine (CID 159187656) is benzene-1,2-diol;methanamine.
What is the SMILES notation for benzene-1,2-diol;methanamine?
The canonical SMILES for benzene-1,2-diol;methanamine is CN.Oc1ccccc1O.
What is the InChIKey of benzene-1,2-diol;methanamine?
The InChIKey is KNRQYXMAYRKDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2.CH5N/c7-5-3-1-2-4-6(5)8;1-2/h1-4,7-8H;2H2,1H3.
What are the key properties of benzene-1,2-diol;methanamine?
benzene-1,2-diol;methanamine has a molecular weight of 141.17 g/mol, XLogP of 0.67, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2-diol;methanamine is sourced from PubChem (CID 159187656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).