2-(methoxymethoxymethyl)pyrrole-1-carbonitrile

C8H10N2O2 — CID 141046139

IUPAC2-(methoxymethoxymethyl)pyrrole-1-carbonitrile
SMILESCOCOCc1cccn1C#N
InChIInChI=1S/C8H10N2O2/c1-11-7-12-5-8-3-2-4-10(8)6-9/h2-4H,5,7H2,1H3
InChIKeyUHVFFEQAPMRNER-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.94
Rot. Bonds4

About 2-(methoxymethoxymethyl)pyrrole-1-carbonitrile

2-(methoxymethoxymethyl)pyrrole-1-carbonitrile (PubChem CID 141046139) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-(methoxymethoxymethyl)pyrrole-1-carbonitrile.

Molecular Properties

Compound Name2-(methoxymethoxymethyl)pyrrole-1-carbonitrile
PubChem CID141046139
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name2-(methoxymethoxymethyl)pyrrole-1-carbonitrile
SMILESCOCOCc1cccn1C#N
InChIInChI=1S/C8H10N2O2/c1-11-7-12-5-8-3-2-4-10(8)6-9/h2-4H,5,7H2,1H3
InChIKeyUHVFFEQAPMRNER-UHFFFAOYSA-N
XLogP0.94
TPSA47.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethoxymethyl)pyrrole-1-carbonitrile?
The IUPAC name of 2-(methoxymethoxymethyl)pyrrole-1-carbonitrile (CID 141046139) is 2-(methoxymethoxymethyl)pyrrole-1-carbonitrile.
What is the SMILES notation for 2-(methoxymethoxymethyl)pyrrole-1-carbonitrile?
The canonical SMILES for 2-(methoxymethoxymethyl)pyrrole-1-carbonitrile is COCOCc1cccn1C#N.
What is the InChIKey of 2-(methoxymethoxymethyl)pyrrole-1-carbonitrile?
The InChIKey is UHVFFEQAPMRNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-11-7-12-5-8-3-2-4-10(8)6-9/h2-4H,5,7H2,1H3.
What are the key properties of 2-(methoxymethoxymethyl)pyrrole-1-carbonitrile?
2-(methoxymethoxymethyl)pyrrole-1-carbonitrile has a molecular weight of 166.18 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethoxymethyl)pyrrole-1-carbonitrile is sourced from PubChem (CID 141046139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).