N-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]ethyl]acetamide

C9H16N2O3 — CID 168662030

IUPACN-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CC(CO)CC1=O
InChIInChI=1S/C9H16N2O3/c1-7(13)10-2-3-11-5-8(6-12)4-9(11)14/h8,12H,2-6H2,1H3,(H,10,13)
InChIKeySRJJSXTYUYTKMV-UHFFFAOYSA-N
MW200.24 g/mol
LogP-1.04
Rot. Bonds4

About N-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]ethyl]acetamide

N-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]ethyl]acetamide (PubChem CID 168662030) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is N-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]ethyl]acetamide
PubChem CID168662030
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC NameN-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CC(CO)CC1=O
InChIInChI=1S/C9H16N2O3/c1-7(13)10-2-3-11-5-8(6-12)4-9(11)14/h8,12H,2-6H2,1H3,(H,10,13)
InChIKeySRJJSXTYUYTKMV-UHFFFAOYSA-N
XLogP-1.04
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-acetamidoethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 43552674
4-(hydroxymethyl)-1-undecylpyrrolidin-2-one
CID 175080693
N-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]propyl]methanesulfonamide
CID 106339803
N-[3-(4-chloro-2-oxopyrrolidin-1-yl)propyl]acetamide
CID 168687350
6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]hexanoic acid
CID 168663010
N-[4-[[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]methyl]phenyl]acetamide
CID 168662043
tert-butyl N-[2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]ethyl]carbamate
CID 168655854
S-[[1-(4-hydroxybutyl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168667570
4-(hydroxymethyl)-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidin-2-one
CID 168661946
4-(hydroxymethyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one
CID 168663026
1-(2,2-dimethylbutyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 103465010
N-[2-(3-bromo-2-oxopyrrolidin-1-yl)ethyl]acetamide
CID 63789994

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]ethyl]acetamide (CID 168662030) is N-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]ethyl]acetamide is CC(=O)NCCN1CC(CO)CC1=O.
What is the InChIKey of N-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]ethyl]acetamide?
The InChIKey is SRJJSXTYUYTKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-7(13)10-2-3-11-5-8(6-12)4-9(11)14/h8,12H,2-6H2,1H3,(H,10,13).
What are the key properties of N-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]ethyl]acetamide?
N-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]ethyl]acetamide has a molecular weight of 200.24 g/mol, XLogP of -1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]ethyl]acetamide is sourced from PubChem (CID 168662030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).