2-pyrrolidin-3-ylacetamide

C6H12N2O — CID 22484093

IUPAC2-pyrrolidin-3-ylacetamide
SMILESNC(=O)CC1CCNC1
InChIInChI=1S/C6H12N2O/c7-6(9)3-5-1-2-8-4-5/h5,8H,1-4H2,(H2,7,9)
InChIKeyXEWJXCNCHWVTPP-UHFFFAOYSA-N
MW128.18 g/mol
LogP-0.53
Rot. Bonds2

About 2-pyrrolidin-3-ylacetamide

2-pyrrolidin-3-ylacetamide (PubChem CID 22484093) has the molecular formula C6H12N2O and a molecular weight of 128.18 g/mol. Its IUPAC name is 2-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound Name2-pyrrolidin-3-ylacetamide
PubChem CID22484093
Molecular FormulaC6H12N2O
Molecular Weight128.18 g/mol
Exact Mass128.09
IUPAC Name2-pyrrolidin-3-ylacetamide
SMILESNC(=O)CC1CCNC1
InChIInChI=1S/C6H12N2O/c7-6(9)3-5-1-2-8-4-5/h5,8H,1-4H2,(H2,7,9)
InChIKeyXEWJXCNCHWVTPP-UHFFFAOYSA-N
XLogP-0.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-3-ylacetamide?
The IUPAC name of 2-pyrrolidin-3-ylacetamide (CID 22484093) is 2-pyrrolidin-3-ylacetamide.
What is the SMILES notation for 2-pyrrolidin-3-ylacetamide?
The canonical SMILES for 2-pyrrolidin-3-ylacetamide is NC(=O)CC1CCNC1.
What is the InChIKey of 2-pyrrolidin-3-ylacetamide?
The InChIKey is XEWJXCNCHWVTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c7-6(9)3-5-1-2-8-4-5/h5,8H,1-4H2,(H2,7,9).
What are the key properties of 2-pyrrolidin-3-ylacetamide?
2-pyrrolidin-3-ylacetamide has a molecular weight of 128.18 g/mol, XLogP of -0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 22484093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).