benzene-1,2-diol;1H-pyrrole

C10H11NO2 — CID 90104055

IUPACbenzene-1,2-diol;1H-pyrrole
SMILESOc1ccccc1O.c1cc[nH]c1
InChIInChI=1S/C6H6O2.C4H5N/c7-5-3-1-2-4-6(5)8;1-2-4-5-3-1/h1-4,7-8H;1-5H
InChIKeyMRBYQJTUMDEVOW-UHFFFAOYSA-N
MW177.20 g/mol
LogP2.11
Rot. Bonds

About benzene-1,2-diol;1H-pyrrole

benzene-1,2-diol;1H-pyrrole (PubChem CID 90104055) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is benzene-1,2-diol;1H-pyrrole.

Molecular Properties

Compound Namebenzene-1,2-diol;1H-pyrrole
PubChem CID90104055
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Namebenzene-1,2-diol;1H-pyrrole
SMILESOc1ccccc1O.c1cc[nH]c1
InChIInChI=1S/C6H6O2.C4H5N/c7-5-3-1-2-4-6(5)8;1-2-4-5-3-1/h1-4,7-8H;1-5H
InChIKeyMRBYQJTUMDEVOW-UHFFFAOYSA-N
XLogP2.11
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzene-1,2-diol;1H-pyrrole?
The IUPAC name of benzene-1,2-diol;1H-pyrrole (CID 90104055) is benzene-1,2-diol;1H-pyrrole.
What is the SMILES notation for benzene-1,2-diol;1H-pyrrole?
The canonical SMILES for benzene-1,2-diol;1H-pyrrole is Oc1ccccc1O.c1cc[nH]c1.
What is the InChIKey of benzene-1,2-diol;1H-pyrrole?
The InChIKey is MRBYQJTUMDEVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2.C4H5N/c7-5-3-1-2-4-6(5)8;1-2-4-5-3-1/h1-4,7-8H;1-5H.
What are the key properties of benzene-1,2-diol;1H-pyrrole?
benzene-1,2-diol;1H-pyrrole has a molecular weight of 177.20 g/mol, XLogP of 2.11, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2-diol;1H-pyrrole is sourced from PubChem (CID 90104055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).