2-cyano-N-methylpyrrolidine-2-carboxamide

C7H11N3O — CID 45115870

IUPAC2-cyano-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1(C#N)CCCN1
InChIInChI=1S/C7H11N3O/c1-9-6(11)7(5-8)3-2-4-10-7/h10H,2-4H2,1H3,(H,9,11)
InChIKeyBGGYOPAFHRCZDB-UHFFFAOYSA-N
MW153.19 g/mol
LogP-0.62
Rot. Bonds1

About 2-cyano-N-methylpyrrolidine-2-carboxamide

2-cyano-N-methylpyrrolidine-2-carboxamide (PubChem CID 45115870) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 2-cyano-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-cyano-N-methylpyrrolidine-2-carboxamide
PubChem CID45115870
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name2-cyano-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1(C#N)CCCN1
InChIInChI=1S/C7H11N3O/c1-9-6(11)7(5-8)3-2-4-10-7/h10H,2-4H2,1H3,(H,9,11)
InChIKeyBGGYOPAFHRCZDB-UHFFFAOYSA-N
XLogP-0.62
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 2-cyano-N-methylpyrrolidine-2-carboxamide (CID 45115870) is 2-cyano-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 2-cyano-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 2-cyano-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1(C#N)CCCN1.
What is the InChIKey of 2-cyano-N-methylpyrrolidine-2-carboxamide?
The InChIKey is BGGYOPAFHRCZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-9-6(11)7(5-8)3-2-4-10-7/h10H,2-4H2,1H3,(H,9,11).
What are the key properties of 2-cyano-N-methylpyrrolidine-2-carboxamide?
2-cyano-N-methylpyrrolidine-2-carboxamide has a molecular weight of 153.19 g/mol, XLogP of -0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 45115870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).