N-[(6-oxo-2,3-dihydropyran-2-yl)methyl]acetamide

C8H11NO3 — CID 77420532

IUPACN-[(6-oxo-2,3-dihydropyran-2-yl)methyl]acetamide
SMILESCC(=O)NCC1CC=CC(=O)O1
InChIInChI=1S/C8H11NO3/c1-6(10)9-5-7-3-2-4-8(11)12-7/h2,4,7H,3,5H2,1H3,(H,9,10)
InChIKeyYOOWMWVVYLYMKS-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.01
Rot. Bonds2

About N-[(6-oxo-2,3-dihydropyran-2-yl)methyl]acetamide

N-[(6-oxo-2,3-dihydropyran-2-yl)methyl]acetamide (PubChem CID 77420532) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is N-[(6-oxo-2,3-dihydropyran-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(6-oxo-2,3-dihydropyran-2-yl)methyl]acetamide
PubChem CID77420532
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC NameN-[(6-oxo-2,3-dihydropyran-2-yl)methyl]acetamide
SMILESCC(=O)NCC1CC=CC(=O)O1
InChIInChI=1S/C8H11NO3/c1-6(10)9-5-7-3-2-4-8(11)12-7/h2,4,7H,3,5H2,1H3,(H,9,10)
InChIKeyYOOWMWVVYLYMKS-UHFFFAOYSA-N
XLogP-0.01
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-oxopentyl)-2,3-dihydropyran-6-one
CID 85185627
N-[(5-oxooxolan-2-yl)methyl]acetamide
CID 533856
(6-oxo-2,3-dihydropyran-2-yl)methyl 2-methylbenzoate
CID 129127022
N-(oxetan-2-ylmethyl)acetamide
CID 166482133
(2R)-2-(2,4,6,8,10-pentahydroxypentacosyl)-2,3-dihydropyran-6-one
CID 53355124
[(E,2S)-1-[(2R)-6-oxo-2,3-dihydropyran-2-yl]-4-phenylbut-3-en-2-yl] acetate
CID 11808267
(3E,8S,11E,16S)-8,16-bis(2-oxopropyl)-1,9-dioxacyclohexadeca-3,11-diene-2,5,10,13-tetrone
CID 11101249
N-[[4-(4-iodophenyl)-5-oxooxolan-2-yl]methyl]acetamide
CID 18318549
9-hydroxy-10,16-dimethyl-4-(2-oxopropyl)-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione
CID 91484889
N-[(3-naphthalen-2-yl-2-oxo-1,3-oxazolidin-5-yl)methyl]acetamide
CID 19012489
N-[(5-formyloxolan-2-yl)methyl]acetamide
CID 10942891
N-[[(5R)-3-[4-(hydroxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54472628

Frequently Asked Questions

What is the IUPAC name of N-[(6-oxo-2,3-dihydropyran-2-yl)methyl]acetamide?
The IUPAC name of N-[(6-oxo-2,3-dihydropyran-2-yl)methyl]acetamide (CID 77420532) is N-[(6-oxo-2,3-dihydropyran-2-yl)methyl]acetamide.
What is the SMILES notation for N-[(6-oxo-2,3-dihydropyran-2-yl)methyl]acetamide?
The canonical SMILES for N-[(6-oxo-2,3-dihydropyran-2-yl)methyl]acetamide is CC(=O)NCC1CC=CC(=O)O1.
What is the InChIKey of N-[(6-oxo-2,3-dihydropyran-2-yl)methyl]acetamide?
The InChIKey is YOOWMWVVYLYMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-6(10)9-5-7-3-2-4-8(11)12-7/h2,4,7H,3,5H2,1H3,(H,9,10).
What are the key properties of N-[(6-oxo-2,3-dihydropyran-2-yl)methyl]acetamide?
N-[(6-oxo-2,3-dihydropyran-2-yl)methyl]acetamide has a molecular weight of 169.18 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-oxo-2,3-dihydropyran-2-yl)methyl]acetamide is sourced from PubChem (CID 77420532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).