2-methylpyrrole-2-carbaldehyde

C6H7NO — CID 57115552

IUPAC2-methylpyrrole-2-carbaldehyde
SMILESCC1(C=O)C=CC=N1
InChIInChI=1S/C6H7NO/c1-6(5-8)3-2-4-7-6/h2-5H,1H3
InChIKeyMUFLESZNQCIZKI-UHFFFAOYSA-N
MW109.13 g/mol
LogP0.58
Rot. Bonds1

About 2-methylpyrrole-2-carbaldehyde

2-methylpyrrole-2-carbaldehyde (PubChem CID 57115552) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is 2-methylpyrrole-2-carbaldehyde.

Molecular Properties

Compound Name2-methylpyrrole-2-carbaldehyde
PubChem CID57115552
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Name2-methylpyrrole-2-carbaldehyde
SMILESCC1(C=O)C=CC=N1
InChIInChI=1S/C6H7NO/c1-6(5-8)3-2-4-7-6/h2-5H,1H3
InChIKeyMUFLESZNQCIZKI-UHFFFAOYSA-N
XLogP0.58
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylpyrrole-2-carbaldehyde?
The IUPAC name of 2-methylpyrrole-2-carbaldehyde (CID 57115552) is 2-methylpyrrole-2-carbaldehyde.
What is the SMILES notation for 2-methylpyrrole-2-carbaldehyde?
The canonical SMILES for 2-methylpyrrole-2-carbaldehyde is CC1(C=O)C=CC=N1.
What is the InChIKey of 2-methylpyrrole-2-carbaldehyde?
The InChIKey is MUFLESZNQCIZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO/c1-6(5-8)3-2-4-7-6/h2-5H,1H3.
What are the key properties of 2-methylpyrrole-2-carbaldehyde?
2-methylpyrrole-2-carbaldehyde has a molecular weight of 109.13 g/mol, XLogP of 0.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyrrole-2-carbaldehyde is sourced from PubChem (CID 57115552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).