2-(oxiran-2-yl)-1H-pyrrole

C6H7NO — CID 57031203

IUPAC2-(oxiran-2-yl)-1H-pyrrole
SMILESc1c[nH]c(C2CO2)c1
InChIInChI=1S/C6H7NO/c1-2-5(7-3-1)6-4-8-6/h1-3,6-7H,4H2
InChIKeyGOVOSHDWVQNDFU-UHFFFAOYSA-N
MW109.13 g/mol
LogP1.09
Rot. Bonds1

About 2-(oxiran-2-yl)-1H-pyrrole

2-(oxiran-2-yl)-1H-pyrrole (PubChem CID 57031203) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is 2-(oxiran-2-yl)-1H-pyrrole.

Molecular Properties

Compound Name2-(oxiran-2-yl)-1H-pyrrole
PubChem CID57031203
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Name2-(oxiran-2-yl)-1H-pyrrole
SMILESc1c[nH]c(C2CO2)c1
InChIInChI=1S/C6H7NO/c1-2-5(7-3-1)6-4-8-6/h1-3,6-7H,4H2
InChIKeyGOVOSHDWVQNDFU-UHFFFAOYSA-N
XLogP1.09
TPSA28.32 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-yl)-1H-pyrrole?
The IUPAC name of 2-(oxiran-2-yl)-1H-pyrrole (CID 57031203) is 2-(oxiran-2-yl)-1H-pyrrole.
What is the SMILES notation for 2-(oxiran-2-yl)-1H-pyrrole?
The canonical SMILES for 2-(oxiran-2-yl)-1H-pyrrole is c1c[nH]c(C2CO2)c1.
What is the InChIKey of 2-(oxiran-2-yl)-1H-pyrrole?
The InChIKey is GOVOSHDWVQNDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO/c1-2-5(7-3-1)6-4-8-6/h1-3,6-7H,4H2.
What are the key properties of 2-(oxiran-2-yl)-1H-pyrrole?
2-(oxiran-2-yl)-1H-pyrrole has a molecular weight of 109.13 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-yl)-1H-pyrrole is sourced from PubChem (CID 57031203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).