N-[(5-oxooxolan-2-yl)methyl]acetamide

C7H11NO3 — CID 533856

IUPACN-[(5-oxooxolan-2-yl)methyl]acetamide
SMILESCC(=O)NCC1CCC(=O)O1
InChIInChI=1S/C7H11NO3/c1-5(9)8-4-6-2-3-7(10)11-6/h6H,2-4H2,1H3,(H,8,9)
InChIKeyOFZQNQUHEMCMIP-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.17
Rot. Bonds2

About N-[(5-oxooxolan-2-yl)methyl]acetamide

N-[(5-oxooxolan-2-yl)methyl]acetamide (PubChem CID 533856) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is N-[(5-oxooxolan-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(5-oxooxolan-2-yl)methyl]acetamide
PubChem CID533856
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC NameN-[(5-oxooxolan-2-yl)methyl]acetamide
SMILESCC(=O)NCC1CCC(=O)O1
InChIInChI=1S/C7H11NO3/c1-5(9)8-4-6-2-3-7(10)11-6/h6H,2-4H2,1H3,(H,8,9)
InChIKeyOFZQNQUHEMCMIP-UHFFFAOYSA-N
XLogP-0.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-5-[(phosphanylamino)methyl]oxolan-2-one
CID 142890345
ethane;5-(hydroxymethyl)oxolan-2-one
CID 142985862
N-(oxetan-2-ylmethyl)acetamide
CID 166482133
N-[(6-oxo-2,3-dihydropyran-2-yl)methyl]acetamide
CID 77420532
4-(cyclohexylamino)-2-(cyclopentylamino)-5-fluoro-N-[[(2S)-5-oxooxolan-2-yl]methyl]benzamide
CID 70940427
(8S)-8,16-bis(2-oxopropyl)-1,9-dioxacyclohexadecane-2,5,10,13-tetrone
CID 177497235
(5S)-5-(sulfanylmethyl)oxolan-2-one
CID 59949087
3-(5-oxooxolan-2-yl)propanoyl chloride
CID 14084427
(5S)-5-tridecyloxolan-2-one
CID 11065462
(5S)-5-pentacosyloxolan-2-one
CID 11102176
5-octyloxolan-2-one
CID 16821
2-(5-oxooxolan-2-yl)ethyl 2-methylprop-2-enoate
CID 20736051

Frequently Asked Questions

What is the IUPAC name of N-[(5-oxooxolan-2-yl)methyl]acetamide?
The IUPAC name of N-[(5-oxooxolan-2-yl)methyl]acetamide (CID 533856) is N-[(5-oxooxolan-2-yl)methyl]acetamide.
What is the SMILES notation for N-[(5-oxooxolan-2-yl)methyl]acetamide?
The canonical SMILES for N-[(5-oxooxolan-2-yl)methyl]acetamide is CC(=O)NCC1CCC(=O)O1.
What is the InChIKey of N-[(5-oxooxolan-2-yl)methyl]acetamide?
The InChIKey is OFZQNQUHEMCMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-5(9)8-4-6-2-3-7(10)11-6/h6H,2-4H2,1H3,(H,8,9).
What are the key properties of N-[(5-oxooxolan-2-yl)methyl]acetamide?
N-[(5-oxooxolan-2-yl)methyl]acetamide has a molecular weight of 157.17 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-oxooxolan-2-yl)methyl]acetamide is sourced from PubChem (CID 533856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).