N-(1-cyanobutan-2-yl)-3-methylpyrrolidine-2-carboxamide

C11H19N3O — CID 102779353

IUPACN-(1-cyanobutan-2-yl)-3-methylpyrrolidine-2-carboxamide
SMILESCCC(CC#N)NC(=O)C1NCCC1C
InChIInChI=1S/C11H19N3O/c1-3-9(4-6-12)14-11(15)10-8(2)5-7-13-10/h8-10,13H,3-5,7H2,1-2H3,(H,14,15)
InChIKeyKEEHCCMAHPDZIU-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.79
Rot. Bonds4

About N-(1-cyanobutan-2-yl)-3-methylpyrrolidine-2-carboxamide

N-(1-cyanobutan-2-yl)-3-methylpyrrolidine-2-carboxamide (PubChem CID 102779353) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(1-cyanobutan-2-yl)-3-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyanobutan-2-yl)-3-methylpyrrolidine-2-carboxamide
PubChem CID102779353
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-(1-cyanobutan-2-yl)-3-methylpyrrolidine-2-carboxamide
SMILESCCC(CC#N)NC(=O)C1NCCC1C
InChIInChI=1S/C11H19N3O/c1-3-9(4-6-12)14-11(15)10-8(2)5-7-13-10/h8-10,13H,3-5,7H2,1-2H3,(H,14,15)
InChIKeyKEEHCCMAHPDZIU-UHFFFAOYSA-N
XLogP0.79
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanobutan-2-yl)-3-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-(1-cyanobutan-2-yl)-3-methylpyrrolidine-2-carboxamide (CID 102779353) is N-(1-cyanobutan-2-yl)-3-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1-cyanobutan-2-yl)-3-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(1-cyanobutan-2-yl)-3-methylpyrrolidine-2-carboxamide is CCC(CC#N)NC(=O)C1NCCC1C.
What is the InChIKey of N-(1-cyanobutan-2-yl)-3-methylpyrrolidine-2-carboxamide?
The InChIKey is KEEHCCMAHPDZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-9(4-6-12)14-11(15)10-8(2)5-7-13-10/h8-10,13H,3-5,7H2,1-2H3,(H,14,15).
What are the key properties of N-(1-cyanobutan-2-yl)-3-methylpyrrolidine-2-carboxamide?
N-(1-cyanobutan-2-yl)-3-methylpyrrolidine-2-carboxamide has a molecular weight of 209.29 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanobutan-2-yl)-3-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 102779353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).