3-(1,2-dimethylpyrrolidin-2-yl)prop-2-ynamide

C9H14N2O — CID 166144717

IUPAC3-(1,2-dimethylpyrrolidin-2-yl)prop-2-ynamide
SMILESCN1CCCC1(C)C#CC(N)=O
InChIInChI=1S/C9H14N2O/c1-9(6-4-8(10)12)5-3-7-11(9)2/h3,5,7H2,1-2H3,(H2,10,12)
InChIKeyLMBKNNGEXTYTHF-UHFFFAOYSA-N
MW166.22 g/mol
LogP-0.04
Rot. Bonds

About 3-(1,2-dimethylpyrrolidin-2-yl)prop-2-ynamide

3-(1,2-dimethylpyrrolidin-2-yl)prop-2-ynamide (PubChem CID 166144717) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-(1,2-dimethylpyrrolidin-2-yl)prop-2-ynamide.

Molecular Properties

Compound Name3-(1,2-dimethylpyrrolidin-2-yl)prop-2-ynamide
PubChem CID166144717
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name3-(1,2-dimethylpyrrolidin-2-yl)prop-2-ynamide
SMILESCN1CCCC1(C)C#CC(N)=O
InChIInChI=1S/C9H14N2O/c1-9(6-4-8(10)12)5-3-7-11(9)2/h3,5,7H2,1-2H3,(H2,10,12)
InChIKeyLMBKNNGEXTYTHF-UHFFFAOYSA-N
XLogP-0.04
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2-dimethylpyrrolidin-2-yl)prop-2-ynamide?
The IUPAC name of 3-(1,2-dimethylpyrrolidin-2-yl)prop-2-ynamide (CID 166144717) is 3-(1,2-dimethylpyrrolidin-2-yl)prop-2-ynamide.
What is the SMILES notation for 3-(1,2-dimethylpyrrolidin-2-yl)prop-2-ynamide?
The canonical SMILES for 3-(1,2-dimethylpyrrolidin-2-yl)prop-2-ynamide is CN1CCCC1(C)C#CC(N)=O.
What is the InChIKey of 3-(1,2-dimethylpyrrolidin-2-yl)prop-2-ynamide?
The InChIKey is LMBKNNGEXTYTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-9(6-4-8(10)12)5-3-7-11(9)2/h3,5,7H2,1-2H3,(H2,10,12).
What are the key properties of 3-(1,2-dimethylpyrrolidin-2-yl)prop-2-ynamide?
3-(1,2-dimethylpyrrolidin-2-yl)prop-2-ynamide has a molecular weight of 166.22 g/mol, XLogP of -0.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-dimethylpyrrolidin-2-yl)prop-2-ynamide is sourced from PubChem (CID 166144717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).