2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide

C10H17NO2 — CID 80601531

IUPAC2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
SMILESCC(C)C(=O)NC1CC2CCC1O2
InChIInChI=1S/C10H17NO2/c1-6(2)10(12)11-8-5-7-3-4-9(8)13-7/h6-9H,3-5H2,1-2H3,(H,11,12)
InChIKeyAJNVKCDCBMZMRP-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.08
Rot. Bonds2

About 2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide

2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide (PubChem CID 80601531) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
PubChem CID80601531
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
SMILESCC(C)C(=O)NC1CC2CCC1O2
InChIInChI=1S/C10H17NO2/c1-6(2)10(12)11-8-5-7-3-4-9(8)13-7/h6-9H,3-5H2,1-2H3,(H,11,12)
InChIKeyAJNVKCDCBMZMRP-UHFFFAOYSA-N
XLogP1.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(oxolan-2-ylethyl)propanamide
CID 17330448
2,2,2-trifluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide
CID 80601618
2-amino-3,3,3-trifluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
CID 80719983
2,2-difluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide
CID 103515856
2,2,3,3-tetrafluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
CID 103760523
2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 113480886
2,2,3,3,3-pentafluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
CID 114038229
2-fluoro-2-methyl-N-[1-(oxolan-2-yl)ethyl]propanamide
CID 130165049
2-fluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
CID 130165220
2,2-difluoro-N-[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide
CID 130608890
N'1,N'1-dimethyl-N1-{7-oxabicyclo[2.2.1]heptan-2-yl}cyclopropane-1,1-dicarboxamide
CID 136538517
2,2-dimethyl-N-(oxolan-2-ylethyl)propanamide
CID 17330450

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide?
The IUPAC name of 2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide (CID 80601531) is 2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide?
The canonical SMILES for 2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide is CC(C)C(=O)NC1CC2CCC1O2.
What is the InChIKey of 2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide?
The InChIKey is AJNVKCDCBMZMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-6(2)10(12)11-8-5-7-3-4-9(8)13-7/h6-9H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide?
2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide has a molecular weight of 183.25 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide is sourced from PubChem (CID 80601531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).