N-(2-oxopyrrolidin-3-yl)-N-propylacetamide

C9H16N2O2 — CID 91422765

IUPACN-(2-oxopyrrolidin-3-yl)-N-propylacetamide
SMILESCCCN(C(C)=O)C1CCNC1=O
InChIInChI=1S/C9H16N2O2/c1-3-6-11(7(2)12)8-4-5-10-9(8)13/h8H,3-6H2,1-2H3,(H,10,13)
InChIKeyHMSQPVSTHGSOHB-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.13
Rot. Bonds3

About N-(2-oxopyrrolidin-3-yl)-N-propylacetamide

N-(2-oxopyrrolidin-3-yl)-N-propylacetamide (PubChem CID 91422765) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N-(2-oxopyrrolidin-3-yl)-N-propylacetamide.

Molecular Properties

Compound NameN-(2-oxopyrrolidin-3-yl)-N-propylacetamide
PubChem CID91422765
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC NameN-(2-oxopyrrolidin-3-yl)-N-propylacetamide
SMILESCCCN(C(C)=O)C1CCNC1=O
InChIInChI=1S/C9H16N2O2/c1-3-6-11(7(2)12)8-4-5-10-9(8)13/h8H,3-6H2,1-2H3,(H,10,13)
InChIKeyHMSQPVSTHGSOHB-UHFFFAOYSA-N
XLogP0.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
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-(2-oxopyrrolidin-3-yl)-N-propylacetamide?
The IUPAC name of N-(2-oxopyrrolidin-3-yl)-N-propylacetamide (CID 91422765) is N-(2-oxopyrrolidin-3-yl)-N-propylacetamide.
What is the SMILES notation for N-(2-oxopyrrolidin-3-yl)-N-propylacetamide?
The canonical SMILES for N-(2-oxopyrrolidin-3-yl)-N-propylacetamide is CCCN(C(C)=O)C1CCNC1=O.
What is the InChIKey of N-(2-oxopyrrolidin-3-yl)-N-propylacetamide?
The InChIKey is HMSQPVSTHGSOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-3-6-11(7(2)12)8-4-5-10-9(8)13/h8H,3-6H2,1-2H3,(H,10,13).
What are the key properties of N-(2-oxopyrrolidin-3-yl)-N-propylacetamide?
N-(2-oxopyrrolidin-3-yl)-N-propylacetamide has a molecular weight of 184.24 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxopyrrolidin-3-yl)-N-propylacetamide is sourced from PubChem (CID 91422765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).