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

C7H9NO — CID 23170832

IUPAC2-(oxiran-2-ylmethyl)-1H-pyrrole
SMILESc1c[nH]c(CC2CO2)c1
InChIInChI=1S/C7H9NO/c1-2-6(8-3-1)4-7-5-9-7/h1-3,7-8H,4-5H2
InChIKeyZFOWEXGOKLKOFQ-UHFFFAOYSA-N
MW123.15 g/mol
LogP0.96
Rot. Bonds2

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

2-(oxiran-2-ylmethyl)-1H-pyrrole (PubChem CID 23170832) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 2-(oxiran-2-ylmethyl)-1H-pyrrole.

Molecular Properties

Compound Name2-(oxiran-2-ylmethyl)-1H-pyrrole
PubChem CID23170832
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name2-(oxiran-2-ylmethyl)-1H-pyrrole
SMILESc1c[nH]c(CC2CO2)c1
InChIInChI=1S/C7H9NO/c1-2-6(8-3-1)4-7-5-9-7/h1-3,7-8H,4-5H2
InChIKeyZFOWEXGOKLKOFQ-UHFFFAOYSA-N
XLogP0.96
TPSA28.32 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 50.96
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-ylmethyl)-1H-pyrrole?
The IUPAC name of 2-(oxiran-2-ylmethyl)-1H-pyrrole (CID 23170832) is 2-(oxiran-2-ylmethyl)-1H-pyrrole.
What is the SMILES notation for 2-(oxiran-2-ylmethyl)-1H-pyrrole?
The canonical SMILES for 2-(oxiran-2-ylmethyl)-1H-pyrrole is c1c[nH]c(CC2CO2)c1.
What is the InChIKey of 2-(oxiran-2-ylmethyl)-1H-pyrrole?
The InChIKey is ZFOWEXGOKLKOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-2-6(8-3-1)4-7-5-9-7/h1-3,7-8H,4-5H2.
What are the key properties of 2-(oxiran-2-ylmethyl)-1H-pyrrole?
2-(oxiran-2-ylmethyl)-1H-pyrrole has a molecular weight of 123.15 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-ylmethyl)-1H-pyrrole is sourced from PubChem (CID 23170832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).