2-cyano-N,2-dimethyl-N-(1-methylpyrrolidin-3-yl)propanamide

C11H19N3O — CID 115175075

IUPAC2-cyano-N,2-dimethyl-N-(1-methylpyrrolidin-3-yl)propanamide
SMILESCN1CCC(N(C)C(=O)C(C)(C)C#N)C1
InChIInChI=1S/C11H19N3O/c1-11(2,8-12)10(15)14(4)9-5-6-13(3)7-9/h9H,5-7H2,1-4H3
InChIKeyKFFCWYZCTSOMTN-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.70
Rot. Bonds2

About 2-cyano-N,2-dimethyl-N-(1-methylpyrrolidin-3-yl)propanamide

2-cyano-N,2-dimethyl-N-(1-methylpyrrolidin-3-yl)propanamide (PubChem CID 115175075) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-cyano-N,2-dimethyl-N-(1-methylpyrrolidin-3-yl)propanamide.

Molecular Properties

Compound Name2-cyano-N,2-dimethyl-N-(1-methylpyrrolidin-3-yl)propanamide
PubChem CID115175075
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-cyano-N,2-dimethyl-N-(1-methylpyrrolidin-3-yl)propanamide
SMILESCN1CCC(N(C)C(=O)C(C)(C)C#N)C1
InChIInChI=1S/C11H19N3O/c1-11(2,8-12)10(15)14(4)9-5-6-13(3)7-9/h9H,5-7H2,1-4H3
InChIKeyKFFCWYZCTSOMTN-UHFFFAOYSA-N
XLogP0.70
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N,2-dimethyl-N-(1-methylpyrrolidin-3-yl)propanamide?
The IUPAC name of 2-cyano-N,2-dimethyl-N-(1-methylpyrrolidin-3-yl)propanamide (CID 115175075) is 2-cyano-N,2-dimethyl-N-(1-methylpyrrolidin-3-yl)propanamide.
What is the SMILES notation for 2-cyano-N,2-dimethyl-N-(1-methylpyrrolidin-3-yl)propanamide?
The canonical SMILES for 2-cyano-N,2-dimethyl-N-(1-methylpyrrolidin-3-yl)propanamide is CN1CCC(N(C)C(=O)C(C)(C)C#N)C1.
What is the InChIKey of 2-cyano-N,2-dimethyl-N-(1-methylpyrrolidin-3-yl)propanamide?
The InChIKey is KFFCWYZCTSOMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-11(2,8-12)10(15)14(4)9-5-6-13(3)7-9/h9H,5-7H2,1-4H3.
What are the key properties of 2-cyano-N,2-dimethyl-N-(1-methylpyrrolidin-3-yl)propanamide?
2-cyano-N,2-dimethyl-N-(1-methylpyrrolidin-3-yl)propanamide has a molecular weight of 209.29 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N,2-dimethyl-N-(1-methylpyrrolidin-3-yl)propanamide is sourced from PubChem (CID 115175075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).