N-(cyanomethyl)-5-oxopyrrolidine-2-carboxamide

C7H9N3O2 — CID 515622

IUPACN-(cyanomethyl)-5-oxopyrrolidine-2-carboxamide
SMILESN#CCNC(=O)C1CCC(=O)N1
InChIInChI=1S/C7H9N3O2/c8-3-4-9-7(12)5-1-2-6(11)10-5/h5H,1-2,4H2,(H,9,12)(H,10,11)
InChIKeyFYCHIMHKWHKPSA-UHFFFAOYSA-N
MW167.17 g/mol
LogP-1.10
Rot. Bonds2

About N-(cyanomethyl)-5-oxopyrrolidine-2-carboxamide

N-(cyanomethyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 515622) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is N-(cyanomethyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID515622
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC NameN-(cyanomethyl)-5-oxopyrrolidine-2-carboxamide
SMILESN#CCNC(=O)C1CCC(=O)N1
InChIInChI=1S/C7H9N3O2/c8-3-4-9-7(12)5-1-2-6(11)10-5/h5H,1-2,4H2,(H,9,12)(H,10,11)
InChIKeyFYCHIMHKWHKPSA-UHFFFAOYSA-N
XLogP-1.10
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(cyanomethyl)-5-oxopyrrolidine-2-carboxamide (CID 515622) is N-(cyanomethyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(cyanomethyl)-5-oxopyrrolidine-2-carboxamide is N#CCNC(=O)C1CCC(=O)N1.
What is the InChIKey of N-(cyanomethyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is FYCHIMHKWHKPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c8-3-4-9-7(12)5-1-2-6(11)10-5/h5H,1-2,4H2,(H,9,12)(H,10,11).
What are the key properties of N-(cyanomethyl)-5-oxopyrrolidine-2-carboxamide?
N-(cyanomethyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 167.17 g/mol, XLogP of -1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 515622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).