1-cyano-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]formamide

C11H19N3O — CID 115172849

IUPAC1-cyano-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]formamide
SMILESCN1CCC(C(C)(C)CNC(=O)C#N)C1
InChIInChI=1S/C11H19N3O/c1-11(2,8-13-10(15)6-12)9-4-5-14(3)7-9/h9H,4-5,7-8H2,1-3H3,(H,13,15)
InChIKeySOSJXHACRKHWNB-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.60
Rot. Bonds3

About 1-cyano-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]formamide

1-cyano-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]formamide (PubChem CID 115172849) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-cyano-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]formamide.

Molecular Properties

Compound Name1-cyano-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]formamide
PubChem CID115172849
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-cyano-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]formamide
SMILESCN1CCC(C(C)(C)CNC(=O)C#N)C1
InChIInChI=1S/C11H19N3O/c1-11(2,8-13-10(15)6-12)9-4-5-14(3)7-9/h9H,4-5,7-8H2,1-3H3,(H,13,15)
InChIKeySOSJXHACRKHWNB-UHFFFAOYSA-N
XLogP0.60
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]acetamide
CID 115191509
2-hydroxy-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]acetamide
CID 115140342
2-methyl-2-(methylamino)-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]propanamide
CID 115165880
3-amino-3-methyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide
CID 115155136
2-(cyclopropylamino)-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]acetamide
CID 115158616
N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]piperazine-1-carboxamide
CID 115171658
2-cyano-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]acetamide
CID 115173463
4-amino-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]pentanamide
CID 115156862
4-amino-3,3-dimethyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide
CID 115157486
3-cyano-N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]propanamide
CID 115174091
N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]acetamide
CID 115191508
4-amino-2-methyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide
CID 115156200

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]formamide?
The IUPAC name of 1-cyano-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]formamide (CID 115172849) is 1-cyano-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]formamide.
What is the SMILES notation for 1-cyano-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]formamide?
The canonical SMILES for 1-cyano-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]formamide is CN1CCC(C(C)(C)CNC(=O)C#N)C1.
What is the InChIKey of 1-cyano-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]formamide?
The InChIKey is SOSJXHACRKHWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-11(2,8-13-10(15)6-12)9-4-5-14(3)7-9/h9H,4-5,7-8H2,1-3H3,(H,13,15).
What are the key properties of 1-cyano-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]formamide?
1-cyano-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]formamide has a molecular weight of 209.29 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]formamide is sourced from PubChem (CID 115172849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).