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

C13H22N2O3 — CID 62521635

IUPACN-[1-(hydroxymethyl)cyclohexyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1CCCC1=O)NC1(CO)CCCCC1
InChIInChI=1S/C13H22N2O3/c16-10-13(6-2-1-3-7-13)14-11(17)9-15-8-4-5-12(15)18/h16H,1-10H2,(H,14,17)
InChIKeyNATFZGJEHIVTFX-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.42
Rot. Bonds4

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

N-[1-(hydroxymethyl)cyclohexyl]-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 62521635) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclohexyl]-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclohexyl]-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID62521635
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC NameN-[1-(hydroxymethyl)cyclohexyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1CCCC1=O)NC1(CO)CCCCC1
InChIInChI=1S/C13H22N2O3/c16-10-13(6-2-1-3-7-13)14-11(17)9-15-8-4-5-12(15)18/h16H,1-10H2,(H,14,17)
InChIKeyNATFZGJEHIVTFX-UHFFFAOYSA-N
XLogP0.42
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 63889573
N-[1-(hydroxymethyl)cyclohexyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 55082313
1-[[2-(2-oxoazepan-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 43169373
1-[[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81362099
4-[[2-(2-oxoazepan-1-yl)acetyl]amino]oxane-4-carboxylic acid
CID 115291594
N-cyclooctyl-2-(2-oxopyrrolidin-1-yl)acetamide
CID 39954322
tert-butyl N-[1-[[[2-(2-oxoazocan-1-yl)acetyl]amino]methyl]cycloheptyl]carbamate
CID 55967344
N-[1-(hydroxymethyl)cyclopentyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 62518811
N-[1-(hydroxymethyl)cyclopentyl]-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 97434100
N-[1-(hydroxymethyl)cyclopentyl]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide
CID 72841984
2-[1-[[[2-(2-oxoazepan-1-yl)acetyl]amino]methyl]cyclobutyl]acetic acid
CID 81165176
N-(2-hydroxyethyl)-2-(2-oxoazepan-1-yl)acetamide
CID 43388932

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-2-(2-oxopyrrolidin-1-yl)acetamide (CID 62521635) is N-[1-(hydroxymethyl)cyclohexyl]-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclohexyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclohexyl]-2-(2-oxopyrrolidin-1-yl)acetamide is O=C(CN1CCCC1=O)NC1(CO)CCCCC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclohexyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is NATFZGJEHIVTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c16-10-13(6-2-1-3-7-13)14-11(17)9-15-8-4-5-12(15)18/h16H,1-10H2,(H,14,17).
What are the key properties of N-[1-(hydroxymethyl)cyclohexyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
N-[1-(hydroxymethyl)cyclohexyl]-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 254.33 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclohexyl]-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 62521635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).