2-[(5-oxopyrrolidin-3-yl)amino]-N-propylacetamide

C9H17N3O2 — CID 106189314

IUPAC2-[(5-oxopyrrolidin-3-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNC1CNC(=O)C1
InChIInChI=1S/C9H17N3O2/c1-2-3-10-9(14)6-11-7-4-8(13)12-5-7/h7,11H,2-6H2,1H3,(H,10,14)(H,12,13)
InChIKeyGFIHHLGCTHBASU-UHFFFAOYSA-N
MW199.25 g/mol
LogP-1.01
Rot. Bonds5

About 2-[(5-oxopyrrolidin-3-yl)amino]-N-propylacetamide

2-[(5-oxopyrrolidin-3-yl)amino]-N-propylacetamide (PubChem CID 106189314) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-[(5-oxopyrrolidin-3-yl)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(5-oxopyrrolidin-3-yl)amino]-N-propylacetamide
PubChem CID106189314
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name2-[(5-oxopyrrolidin-3-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNC1CNC(=O)C1
InChIInChI=1S/C9H17N3O2/c1-2-3-10-9(14)6-11-7-4-8(13)12-5-7/h7,11H,2-6H2,1H3,(H,10,14)(H,12,13)
InChIKeyGFIHHLGCTHBASU-UHFFFAOYSA-N
XLogP-1.01
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-oxopyrrolidin-3-yl)amino]-N-propylacetamide?
The IUPAC name of 2-[(5-oxopyrrolidin-3-yl)amino]-N-propylacetamide (CID 106189314) is 2-[(5-oxopyrrolidin-3-yl)amino]-N-propylacetamide.
What is the SMILES notation for 2-[(5-oxopyrrolidin-3-yl)amino]-N-propylacetamide?
The canonical SMILES for 2-[(5-oxopyrrolidin-3-yl)amino]-N-propylacetamide is CCCNC(=O)CNC1CNC(=O)C1.
What is the InChIKey of 2-[(5-oxopyrrolidin-3-yl)amino]-N-propylacetamide?
The InChIKey is GFIHHLGCTHBASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-2-3-10-9(14)6-11-7-4-8(13)12-5-7/h7,11H,2-6H2,1H3,(H,10,14)(H,12,13).
What are the key properties of 2-[(5-oxopyrrolidin-3-yl)amino]-N-propylacetamide?
2-[(5-oxopyrrolidin-3-yl)amino]-N-propylacetamide has a molecular weight of 199.25 g/mol, XLogP of -1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-oxopyrrolidin-3-yl)amino]-N-propylacetamide is sourced from PubChem (CID 106189314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).