N-[(3-methoxyoxolan-3-yl)methyl]acetamide

C8H15NO3 — CID 104708980

IUPACN-[(3-methoxyoxolan-3-yl)methyl]acetamide
SMILESCOC1(CNC(C)=O)CCOC1
InChIInChI=1S/C8H15NO3/c1-7(10)9-5-8(11-2)3-4-12-6-8/h3-6H2,1-2H3,(H,9,10)
InChIKeyCDCFXROUVPBKAZ-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.07
Rot. Bonds3

About N-[(3-methoxyoxolan-3-yl)methyl]acetamide

N-[(3-methoxyoxolan-3-yl)methyl]acetamide (PubChem CID 104708980) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]acetamide
PubChem CID104708980
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]acetamide
SMILESCOC1(CNC(C)=O)CCOC1
InChIInChI=1S/C8H15NO3/c1-7(10)9-5-8(11-2)3-4-12-6-8/h3-6H2,1-2H3,(H,9,10)
InChIKeyCDCFXROUVPBKAZ-UHFFFAOYSA-N
XLogP-0.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]acetamide?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]acetamide (CID 104708980) is N-[(3-methoxyoxolan-3-yl)methyl]acetamide.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]acetamide?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]acetamide is COC1(CNC(C)=O)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]acetamide?
The InChIKey is CDCFXROUVPBKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-7(10)9-5-8(11-2)3-4-12-6-8/h3-6H2,1-2H3,(H,9,10).
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]acetamide?
N-[(3-methoxyoxolan-3-yl)methyl]acetamide has a molecular weight of 173.21 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyoxolan-3-yl)methyl]acetamide is sourced from PubChem (CID 104708980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).