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

C9H15NO2 — CID 80601813

IUPACN-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
SMILESCCC(=O)NC1CC2CCC1O2
InChIInChI=1S/C9H15NO2/c1-2-9(11)10-7-5-6-3-4-8(7)12-6/h6-8H,2-5H2,1H3,(H,10,11)
InChIKeyISQVUKQSGVTVCP-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.83
Rot. Bonds2

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

N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide (PubChem CID 80601813) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide.

Molecular Properties

Compound NameN-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
PubChem CID80601813
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
SMILESCCC(=O)NC1CC2CCC1O2
InChIInChI=1S/C9H15NO2/c1-2-9(11)10-7-5-6-3-4-8(7)12-6/h6-8H,2-5H2,1H3,(H,10,11)
InChIKeyISQVUKQSGVTVCP-UHFFFAOYSA-N
XLogP0.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide?
The IUPAC name of N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide (CID 80601813) is N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide.
What is the SMILES notation for N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide?
The canonical SMILES for N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide is CCC(=O)NC1CC2CCC1O2.
What is the InChIKey of N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide?
The InChIKey is ISQVUKQSGVTVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-9(11)10-7-5-6-3-4-8(7)12-6/h6-8H,2-5H2,1H3,(H,10,11).
What are the key properties of N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide?
N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide has a molecular weight of 169.22 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide is sourced from PubChem (CID 80601813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).