1-(oxomethyl)pyrrolidine-2-carboxamide

C6H9N2O2+ — CID 154541895

IUPAC1-(oxomethyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1[C+]=O
InChIInChI=1S/C6H8N2O2/c7-6(10)5-2-1-3-8(5)4-9/h5H,1-3H2,(H-,7,10)/p+1
InChIKeyJLSLJHABIOSPJT-UHFFFAOYSA-O
MW141.15 g/mol
LogP-1.00
Rot. Bonds2

About 1-(oxomethyl)pyrrolidine-2-carboxamide

1-(oxomethyl)pyrrolidine-2-carboxamide (PubChem CID 154541895) has the molecular formula C6H9N2O2+ and a molecular weight of 141.15 g/mol. Its IUPAC name is 1-(oxomethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(oxomethyl)pyrrolidine-2-carboxamide
PubChem CID154541895
Molecular FormulaC6H9N2O2+
Molecular Weight141.15 g/mol
Exact Mass141.07
IUPAC Name1-(oxomethyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1[C+]=O
InChIInChI=1S/C6H8N2O2/c7-6(10)5-2-1-3-8(5)4-9/h5H,1-3H2,(H-,7,10)/p+1
InChIKeyJLSLJHABIOSPJT-UHFFFAOYSA-O
XLogP-1.00
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.15
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(oxomethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(oxomethyl)pyrrolidine-2-carboxamide (CID 154541895) is 1-(oxomethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(oxomethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(oxomethyl)pyrrolidine-2-carboxamide is NC(=O)C1CCCN1[C+]=O.
What is the InChIKey of 1-(oxomethyl)pyrrolidine-2-carboxamide?
The InChIKey is JLSLJHABIOSPJT-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H8N2O2/c7-6(10)5-2-1-3-8(5)4-9/h5H,1-3H2,(H-,7,10)/p+1.
What are the key properties of 1-(oxomethyl)pyrrolidine-2-carboxamide?
1-(oxomethyl)pyrrolidine-2-carboxamide has a molecular weight of 141.15 g/mol, XLogP of -1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxomethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 154541895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).