N-[3-(4-chloro-2-oxopyrrolidin-1-yl)propyl]acetamide

C9H15ClN2O2 — CID 168687350

IUPACN-[3-(4-chloro-2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESCC(=O)NCCCN1CC(Cl)CC1=O
InChIInChI=1S/C9H15ClN2O2/c1-7(13)11-3-2-4-12-6-8(10)5-9(12)14/h8H,2-6H2,1H3,(H,11,13)
InChIKeyUURFMGONOVPTII-UHFFFAOYSA-N
MW218.68 g/mol
LogP0.35
Rot. Bonds4

About N-[3-(4-chloro-2-oxopyrrolidin-1-yl)propyl]acetamide

N-[3-(4-chloro-2-oxopyrrolidin-1-yl)propyl]acetamide (PubChem CID 168687350) has the molecular formula C9H15ClN2O2 and a molecular weight of 218.68 g/mol. Its IUPAC name is N-[3-(4-chloro-2-oxopyrrolidin-1-yl)propyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-chloro-2-oxopyrrolidin-1-yl)propyl]acetamide
PubChem CID168687350
Molecular FormulaC9H15ClN2O2
Molecular Weight218.68 g/mol
Exact Mass218.08
IUPAC NameN-[3-(4-chloro-2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESCC(=O)NCCCN1CC(Cl)CC1=O
InChIInChI=1S/C9H15ClN2O2/c1-7(13)11-3-2-4-12-6-8(10)5-9(12)14/h8H,2-6H2,1H3,(H,11,13)
InChIKeyUURFMGONOVPTII-UHFFFAOYSA-N
XLogP0.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.68
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-1-hexylpyrrolidin-2-one
CID 168687403
1-(2-acetamidoethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 43552674
4-chloro-1-[3-(cyclohexylamino)propyl]pyrrolidin-2-one
CID 168688553
N-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]ethyl]acetamide
CID 168662030
N,1-dibutyl-5-oxopyrrolidine-3-carboxamide
CID 17082476
tert-butyl N-[3-(4-amino-2-oxopyrrolidin-1-yl)propyl]carbamate
CID 168699074
N,1-didodecyl-5-oxopyrrolidine-3-carboxamide
CID 66680655
4-chloro-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one
CID 168688552
(3R)-1-butyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 9397964
tert-butyl N-[6-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]hexyl]carbamate
CID 168503582
N-(2-methoxyethyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113182494
1-[3-(methanesulfonamido)propyl]-5-oxopyrrolidine-3-carboxylic acid
CID 106332650

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloro-2-oxopyrrolidin-1-yl)propyl]acetamide?
The IUPAC name of N-[3-(4-chloro-2-oxopyrrolidin-1-yl)propyl]acetamide (CID 168687350) is N-[3-(4-chloro-2-oxopyrrolidin-1-yl)propyl]acetamide.
What is the SMILES notation for N-[3-(4-chloro-2-oxopyrrolidin-1-yl)propyl]acetamide?
The canonical SMILES for N-[3-(4-chloro-2-oxopyrrolidin-1-yl)propyl]acetamide is CC(=O)NCCCN1CC(Cl)CC1=O.
What is the InChIKey of N-[3-(4-chloro-2-oxopyrrolidin-1-yl)propyl]acetamide?
The InChIKey is UURFMGONOVPTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2O2/c1-7(13)11-3-2-4-12-6-8(10)5-9(12)14/h8H,2-6H2,1H3,(H,11,13).
What are the key properties of N-[3-(4-chloro-2-oxopyrrolidin-1-yl)propyl]acetamide?
N-[3-(4-chloro-2-oxopyrrolidin-1-yl)propyl]acetamide has a molecular weight of 218.68 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloro-2-oxopyrrolidin-1-yl)propyl]acetamide is sourced from PubChem (CID 168687350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).