2,5-dihydro-1H-pyrrole-2-carbaldehyde;methoxymethane

C7H13NO2 — CID 145136624

IUPAC2,5-dihydro-1H-pyrrole-2-carbaldehyde;methoxymethane
SMILESCOC.O=CC1C=CCN1
InChIInChI=1S/C5H7NO.C2H6O/c7-4-5-2-1-3-6-5;1-3-2/h1-2,4-6H,3H2;1-2H3
InChIKeyBVNLDWLPFZNXPK-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.02
Rot. Bonds1

About 2,5-dihydro-1H-pyrrole-2-carbaldehyde;methoxymethane

2,5-dihydro-1H-pyrrole-2-carbaldehyde;methoxymethane (PubChem CID 145136624) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2,5-dihydro-1H-pyrrole-2-carbaldehyde;methoxymethane.

Molecular Properties

Compound Name2,5-dihydro-1H-pyrrole-2-carbaldehyde;methoxymethane
PubChem CID145136624
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2,5-dihydro-1H-pyrrole-2-carbaldehyde;methoxymethane
SMILESCOC.O=CC1C=CCN1
InChIInChI=1S/C5H7NO.C2H6O/c7-4-5-2-1-3-6-5;1-3-2/h1-2,4-6H,3H2;1-2H3
InChIKeyBVNLDWLPFZNXPK-UHFFFAOYSA-N
XLogP-0.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dihydro-1H-pyrrole-2-carbaldehyde;methoxymethane?
The IUPAC name of 2,5-dihydro-1H-pyrrole-2-carbaldehyde;methoxymethane (CID 145136624) is 2,5-dihydro-1H-pyrrole-2-carbaldehyde;methoxymethane.
What is the SMILES notation for 2,5-dihydro-1H-pyrrole-2-carbaldehyde;methoxymethane?
The canonical SMILES for 2,5-dihydro-1H-pyrrole-2-carbaldehyde;methoxymethane is COC.O=CC1C=CCN1.
What is the InChIKey of 2,5-dihydro-1H-pyrrole-2-carbaldehyde;methoxymethane?
The InChIKey is BVNLDWLPFZNXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO.C2H6O/c7-4-5-2-1-3-6-5;1-3-2/h1-2,4-6H,3H2;1-2H3.
What are the key properties of 2,5-dihydro-1H-pyrrole-2-carbaldehyde;methoxymethane?
2,5-dihydro-1H-pyrrole-2-carbaldehyde;methoxymethane has a molecular weight of 143.19 g/mol, XLogP of -0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydro-1H-pyrrole-2-carbaldehyde;methoxymethane is sourced from PubChem (CID 145136624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).