N-pyrrolidin-1-ylacetamide

C6H12N2O — CID 22023174

IUPACN-pyrrolidin-1-ylacetamide
SMILESCC(=O)NN1CCCC1
InChIInChI=1S/C6H12N2O/c1-6(9)7-8-4-2-3-5-8/h2-5H2,1H3,(H,7,9)
InChIKeyXSFMNFYLWHPZIQ-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.13
Rot. Bonds1

About N-pyrrolidin-1-ylacetamide

N-pyrrolidin-1-ylacetamide (PubChem CID 22023174) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is N-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-pyrrolidin-1-ylacetamide
PubChem CID22023174
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC NameN-pyrrolidin-1-ylacetamide
SMILESCC(=O)NN1CCCC1
InChIInChI=1S/C6H12N2O/c1-6(9)7-8-4-2-3-5-8/h2-5H2,1H3,(H,7,9)
InChIKeyXSFMNFYLWHPZIQ-UHFFFAOYSA-N
XLogP0.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-1-ylacetamide?
The IUPAC name of N-pyrrolidin-1-ylacetamide (CID 22023174) is N-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-pyrrolidin-1-ylacetamide is CC(=O)NN1CCCC1.
What is the InChIKey of N-pyrrolidin-1-ylacetamide?
The InChIKey is XSFMNFYLWHPZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-6(9)7-8-4-2-3-5-8/h2-5H2,1H3,(H,7,9).
What are the key properties of N-pyrrolidin-1-ylacetamide?
N-pyrrolidin-1-ylacetamide has a molecular weight of 128.17 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 22023174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).