N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide

C8H15NO3 — CID 107302191

IUPACN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
SMILESCC(=O)NCC1(O)CCOC1C
InChIInChI=1S/C8H15NO3/c1-6-8(11,3-4-12-6)5-9-7(2)10/h6,11H,3-5H2,1-2H3,(H,9,10)
InChIKeyPTUOWEPGBSEOIG-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.34
Rot. Bonds2

About N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide

N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide (PubChem CID 107302191) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
PubChem CID107302191
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC NameN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
SMILESCC(=O)NCC1(O)CCOC1C
InChIInChI=1S/C8H15NO3/c1-6-8(11,3-4-12-6)5-9-7(2)10/h6,11H,3-5H2,1-2H3,(H,9,10)
InChIKeyPTUOWEPGBSEOIG-UHFFFAOYSA-N
XLogP-0.34
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,1-dimethylurea
CID 107268631
3-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide
CID 106100304
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]but-2-ynamide
CID 106102911
2,2,3,3,3-pentafluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide
CID 114143734
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-(methylamino)propanamide
CID 106101711
3-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,2-dimethylpropanamide
CID 106101650
2-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide
CID 106101609
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]oxolane-3-carboxamide
CID 107301644
1-cyclohexyl-3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]urea
CID 107265907
2-[1-(aminomethyl)cyclobutyl]-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 114143583
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylsulfonylpropanamide
CID 107302161
4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide
CID 106101708

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide?
The IUPAC name of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide (CID 107302191) is N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide.
What is the SMILES notation for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide?
The canonical SMILES for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide is CC(=O)NCC1(O)CCOC1C.
What is the InChIKey of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide?
The InChIKey is PTUOWEPGBSEOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-6-8(11,3-4-12-6)5-9-7(2)10/h6,11H,3-5H2,1-2H3,(H,9,10).
What are the key properties of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide?
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide has a molecular weight of 173.21 g/mol, XLogP of -0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide is sourced from PubChem (CID 107302191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).