2-[4-(2,2-dihydroxypropyl)-2-oxopyrrolidin-1-yl]acetamide

C9H16N2O4 — CID 91411764

IUPAC2-[4-(2,2-dihydroxypropyl)-2-oxopyrrolidin-1-yl]acetamide
SMILESCC(O)(O)CC1CC(=O)N(CC(N)=O)C1
InChIInChI=1S/C9H16N2O4/c1-9(14,15)3-6-2-8(13)11(4-6)5-7(10)12/h6,14-15H,2-5H2,1H3,(H2,10,12)
InChIKeyDEPUCNHYITXDAK-UHFFFAOYSA-N
MW216.24 g/mol
LogP-1.59
Rot. Bonds4

About 2-[4-(2,2-dihydroxypropyl)-2-oxopyrrolidin-1-yl]acetamide

2-[4-(2,2-dihydroxypropyl)-2-oxopyrrolidin-1-yl]acetamide (PubChem CID 91411764) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-[4-(2,2-dihydroxypropyl)-2-oxopyrrolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(2,2-dihydroxypropyl)-2-oxopyrrolidin-1-yl]acetamide
PubChem CID91411764
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name2-[4-(2,2-dihydroxypropyl)-2-oxopyrrolidin-1-yl]acetamide
SMILESCC(O)(O)CC1CC(=O)N(CC(N)=O)C1
InChIInChI=1S/C9H16N2O4/c1-9(14,15)3-6-2-8(13)11(4-6)5-7(10)12/h6,14-15H,2-5H2,1H3,(H2,10,12)
InChIKeyDEPUCNHYITXDAK-UHFFFAOYSA-N
XLogP-1.59
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-1.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

potassium;hydride;2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetamide
CID 174987008
2-(4-hydroperoxy-2-oxopyrrolidin-1-yl)acetamide
CID 118704578
2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetamide;methanesulfonic acid
CID 175196309
4-(2,2-difluoropropyl)-1-(hydroxymethyl)pyrrolidin-2-one
CID 67116912
[1-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675045
2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 781884
4-(aminomethyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-one
CID 168659192
4-(chloromethyl)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-2-one
CID 168506958
2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide;hydrochloride
CID 170974229
(2R)-2-[(4R)-4-(2,2-dimethylpropyl)-2-oxopyrrolidin-1-yl]butanamide
CID 135828034
2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]acetic acid
CID 168504859
ethane;2-(4-methyl-2-oxopiperidin-1-yl)acetamide;propane
CID 153352892

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-dihydroxypropyl)-2-oxopyrrolidin-1-yl]acetamide?
The IUPAC name of 2-[4-(2,2-dihydroxypropyl)-2-oxopyrrolidin-1-yl]acetamide (CID 91411764) is 2-[4-(2,2-dihydroxypropyl)-2-oxopyrrolidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-(2,2-dihydroxypropyl)-2-oxopyrrolidin-1-yl]acetamide?
The canonical SMILES for 2-[4-(2,2-dihydroxypropyl)-2-oxopyrrolidin-1-yl]acetamide is CC(O)(O)CC1CC(=O)N(CC(N)=O)C1.
What is the InChIKey of 2-[4-(2,2-dihydroxypropyl)-2-oxopyrrolidin-1-yl]acetamide?
The InChIKey is DEPUCNHYITXDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-9(14,15)3-6-2-8(13)11(4-6)5-7(10)12/h6,14-15H,2-5H2,1H3,(H2,10,12).
What are the key properties of 2-[4-(2,2-dihydroxypropyl)-2-oxopyrrolidin-1-yl]acetamide?
2-[4-(2,2-dihydroxypropyl)-2-oxopyrrolidin-1-yl]acetamide has a molecular weight of 216.24 g/mol, XLogP of -1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-dihydroxypropyl)-2-oxopyrrolidin-1-yl]acetamide is sourced from PubChem (CID 91411764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).