1-[(5-oxopyrrolidin-2-yl)methyl]pyrrole-3-carbaldehyde

C10H12N2O2 — CID 130517259

IUPAC1-[(5-oxopyrrolidin-2-yl)methyl]pyrrole-3-carbaldehyde
SMILESO=Cc1ccn(CC2CCC(=O)N2)c1
InChIInChI=1S/C10H12N2O2/c13-7-8-3-4-12(5-8)6-9-1-2-10(14)11-9/h3-5,7,9H,1-2,6H2,(H,11,14)
InChIKeyCNEATANSLRLPCZ-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.58
Rot. Bonds3

About 1-[(5-oxopyrrolidin-2-yl)methyl]pyrrole-3-carbaldehyde

1-[(5-oxopyrrolidin-2-yl)methyl]pyrrole-3-carbaldehyde (PubChem CID 130517259) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-[(5-oxopyrrolidin-2-yl)methyl]pyrrole-3-carbaldehyde.

Molecular Properties

Compound Name1-[(5-oxopyrrolidin-2-yl)methyl]pyrrole-3-carbaldehyde
PubChem CID130517259
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name1-[(5-oxopyrrolidin-2-yl)methyl]pyrrole-3-carbaldehyde
SMILESO=Cc1ccn(CC2CCC(=O)N2)c1
InChIInChI=1S/C10H12N2O2/c13-7-8-3-4-12(5-8)6-9-1-2-10(14)11-9/h3-5,7,9H,1-2,6H2,(H,11,14)
InChIKeyCNEATANSLRLPCZ-UHFFFAOYSA-N
XLogP0.58
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-oxopyrrolidin-2-yl)methyl]pyrrole-3-carbaldehyde?
The IUPAC name of 1-[(5-oxopyrrolidin-2-yl)methyl]pyrrole-3-carbaldehyde (CID 130517259) is 1-[(5-oxopyrrolidin-2-yl)methyl]pyrrole-3-carbaldehyde.
What is the SMILES notation for 1-[(5-oxopyrrolidin-2-yl)methyl]pyrrole-3-carbaldehyde?
The canonical SMILES for 1-[(5-oxopyrrolidin-2-yl)methyl]pyrrole-3-carbaldehyde is O=Cc1ccn(CC2CCC(=O)N2)c1.
What is the InChIKey of 1-[(5-oxopyrrolidin-2-yl)methyl]pyrrole-3-carbaldehyde?
The InChIKey is CNEATANSLRLPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c13-7-8-3-4-12(5-8)6-9-1-2-10(14)11-9/h3-5,7,9H,1-2,6H2,(H,11,14).
What are the key properties of 1-[(5-oxopyrrolidin-2-yl)methyl]pyrrole-3-carbaldehyde?
1-[(5-oxopyrrolidin-2-yl)methyl]pyrrole-3-carbaldehyde has a molecular weight of 192.22 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-oxopyrrolidin-2-yl)methyl]pyrrole-3-carbaldehyde is sourced from PubChem (CID 130517259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).