2-cyanopyrrolidine-1-carboxamide

C6H9N3O — CID 18437386

IUPAC2-cyanopyrrolidine-1-carboxamide
SMILESN#CC1CCCN1C(N)=O
InChIInChI=1S/C6H9N3O/c7-4-5-2-1-3-9(5)6(8)10/h5H,1-3H2,(H2,8,10)
InChIKeyLILNUAZFWDUXHX-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.05
Rot. Bonds

About 2-cyanopyrrolidine-1-carboxamide

2-cyanopyrrolidine-1-carboxamide (PubChem CID 18437386) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 2-cyanopyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-cyanopyrrolidine-1-carboxamide
PubChem CID18437386
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name2-cyanopyrrolidine-1-carboxamide
SMILESN#CC1CCCN1C(N)=O
InChIInChI=1S/C6H9N3O/c7-4-5-2-1-3-9(5)6(8)10/h5H,1-3H2,(H2,8,10)
InChIKeyLILNUAZFWDUXHX-UHFFFAOYSA-N
XLogP0.05
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyanopyrrolidine-1-carboxamide?
The IUPAC name of 2-cyanopyrrolidine-1-carboxamide (CID 18437386) is 2-cyanopyrrolidine-1-carboxamide.
What is the SMILES notation for 2-cyanopyrrolidine-1-carboxamide?
The canonical SMILES for 2-cyanopyrrolidine-1-carboxamide is N#CC1CCCN1C(N)=O.
What is the InChIKey of 2-cyanopyrrolidine-1-carboxamide?
The InChIKey is LILNUAZFWDUXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c7-4-5-2-1-3-9(5)6(8)10/h5H,1-3H2,(H2,8,10).
What are the key properties of 2-cyanopyrrolidine-1-carboxamide?
2-cyanopyrrolidine-1-carboxamide has a molecular weight of 139.16 g/mol, XLogP of 0.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyanopyrrolidine-1-carboxamide is sourced from PubChem (CID 18437386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).