azane;benzene-1,2-diol;ethene

C8H16N2O2 — CID 66622051

IUPACazane;benzene-1,2-diol;ethene
SMILESC=C.N.N.Oc1ccccc1O
InChIInChI=1S/C6H6O2.C2H4.2H3N/c7-5-3-1-2-4-6(5)8;1-2;;/h1-4,7-8H;1-2H2;2*1H3
InChIKeyZKNMSXQKEBKCAG-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.22
Rot. Bonds

About azane;benzene-1,2-diol;ethene

azane;benzene-1,2-diol;ethene (PubChem CID 66622051) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is azane;benzene-1,2-diol;ethene.

Molecular Properties

Compound Nameazane;benzene-1,2-diol;ethene
PubChem CID66622051
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Nameazane;benzene-1,2-diol;ethene
SMILESC=C.N.N.Oc1ccccc1O
InChIInChI=1S/C6H6O2.C2H4.2H3N/c7-5-3-1-2-4-6(5)8;1-2;;/h1-4,7-8H;1-2H2;2*1H3
InChIKeyZKNMSXQKEBKCAG-UHFFFAOYSA-N
XLogP2.22
TPSA110.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;benzene-1,2-diol;ethene?
The IUPAC name of azane;benzene-1,2-diol;ethene (CID 66622051) is azane;benzene-1,2-diol;ethene.
What is the SMILES notation for azane;benzene-1,2-diol;ethene?
The canonical SMILES for azane;benzene-1,2-diol;ethene is C=C.N.N.Oc1ccccc1O.
What is the InChIKey of azane;benzene-1,2-diol;ethene?
The InChIKey is ZKNMSXQKEBKCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2.C2H4.2H3N/c7-5-3-1-2-4-6(5)8;1-2;;/h1-4,7-8H;1-2H2;2*1H3.
What are the key properties of azane;benzene-1,2-diol;ethene?
azane;benzene-1,2-diol;ethene has a molecular weight of 172.23 g/mol, XLogP of 2.22, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;benzene-1,2-diol;ethene is sourced from PubChem (CID 66622051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).