N-pyrrolidin-3-ylacetamide

C6H12N2O — CID 522715

IUPACN-pyrrolidin-3-ylacetamide
SMILESCC(=O)NC1CCNC1
InChIInChI=1S/C6H12N2O/c1-5(9)8-6-2-3-7-4-6/h6-7H,2-4H2,1H3,(H,8,9)
InChIKeyHDCCJUCOIKLZNM-UHFFFAOYSA-N
MW128.18 g/mol
LogP-0.52
Rot. Bonds1

About N-pyrrolidin-3-ylacetamide

N-pyrrolidin-3-ylacetamide (PubChem CID 522715) has the molecular formula C6H12N2O and a molecular weight of 128.18 g/mol. Its IUPAC name is N-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound NameN-pyrrolidin-3-ylacetamide
PubChem CID522715
Molecular FormulaC6H12N2O
Molecular Weight128.18 g/mol
Exact Mass128.09
IUPAC NameN-pyrrolidin-3-ylacetamide
SMILESCC(=O)NC1CCNC1
InChIInChI=1S/C6H12N2O/c1-5(9)8-6-2-3-7-4-6/h6-7H,2-4H2,1H3,(H,8,9)
InChIKeyHDCCJUCOIKLZNM-UHFFFAOYSA-N
XLogP-0.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-3-ylacetamide?
The IUPAC name of N-pyrrolidin-3-ylacetamide (CID 522715) is N-pyrrolidin-3-ylacetamide.
What is the SMILES notation for N-pyrrolidin-3-ylacetamide?
The canonical SMILES for N-pyrrolidin-3-ylacetamide is CC(=O)NC1CCNC1.
What is the InChIKey of N-pyrrolidin-3-ylacetamide?
The InChIKey is HDCCJUCOIKLZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-5(9)8-6-2-3-7-4-6/h6-7H,2-4H2,1H3,(H,8,9).
What are the key properties of N-pyrrolidin-3-ylacetamide?
N-pyrrolidin-3-ylacetamide has a molecular weight of 128.18 g/mol, XLogP of -0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 522715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).