3-formyl-N-methylpyrrolidine-1-carboxamide

C7H12N2O2 — CID 90692240

IUPAC3-formyl-N-methylpyrrolidine-1-carboxamide
SMILESCNC(=O)N1CCC(C=O)C1
InChIInChI=1S/C7H12N2O2/c1-8-7(11)9-3-2-6(4-9)5-10/h5-6H,2-4H2,1H3,(H,8,11)
InChIKeyQIFNHADJSCMVCF-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.15
Rot. Bonds1

About 3-formyl-N-methylpyrrolidine-1-carboxamide

3-formyl-N-methylpyrrolidine-1-carboxamide (PubChem CID 90692240) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 3-formyl-N-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-formyl-N-methylpyrrolidine-1-carboxamide
PubChem CID90692240
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name3-formyl-N-methylpyrrolidine-1-carboxamide
SMILESCNC(=O)N1CCC(C=O)C1
InChIInChI=1S/C7H12N2O2/c1-8-7(11)9-3-2-6(4-9)5-10/h5-6H,2-4H2,1H3,(H,8,11)
InChIKeyQIFNHADJSCMVCF-UHFFFAOYSA-N
XLogP-0.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
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 3-formyl-N-methylpyrrolidine-1-carboxamide?
The IUPAC name of 3-formyl-N-methylpyrrolidine-1-carboxamide (CID 90692240) is 3-formyl-N-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-formyl-N-methylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-formyl-N-methylpyrrolidine-1-carboxamide is CNC(=O)N1CCC(C=O)C1.
What is the InChIKey of 3-formyl-N-methylpyrrolidine-1-carboxamide?
The InChIKey is QIFNHADJSCMVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-8-7(11)9-3-2-6(4-9)5-10/h5-6H,2-4H2,1H3,(H,8,11).
What are the key properties of 3-formyl-N-methylpyrrolidine-1-carboxamide?
3-formyl-N-methylpyrrolidine-1-carboxamide has a molecular weight of 156.19 g/mol, XLogP of -0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formyl-N-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 90692240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).