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

C10H17NO2 — CID 80601437

IUPACN-(7-oxabicyclo[2.2.1]heptan-2-yl)butanamide
SMILESCCCC(=O)NC1CC2CCC1O2
InChIInChI=1S/C10H17NO2/c1-2-3-10(12)11-8-6-7-4-5-9(8)13-7/h7-9H,2-6H2,1H3,(H,11,12)
InChIKeyJUWZKGHJDAPJJW-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.22
Rot. Bonds3

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

N-(7-oxabicyclo[2.2.1]heptan-2-yl)butanamide (PubChem CID 80601437) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-(7-oxabicyclo[2.2.1]heptan-2-yl)butanamide.

Molecular Properties

Compound NameN-(7-oxabicyclo[2.2.1]heptan-2-yl)butanamide
PubChem CID80601437
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-(7-oxabicyclo[2.2.1]heptan-2-yl)butanamide
SMILESCCCC(=O)NC1CC2CCC1O2
InChIInChI=1S/C10H17NO2/c1-2-3-10(12)11-8-6-7-4-5-9(8)13-7/h7-9H,2-6H2,1H3,(H,11,12)
InChIKeyJUWZKGHJDAPJJW-UHFFFAOYSA-N
XLogP1.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.22
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)butanamide?
The IUPAC name of N-(7-oxabicyclo[2.2.1]heptan-2-yl)butanamide (CID 80601437) is N-(7-oxabicyclo[2.2.1]heptan-2-yl)butanamide.
What is the SMILES notation for N-(7-oxabicyclo[2.2.1]heptan-2-yl)butanamide?
The canonical SMILES for N-(7-oxabicyclo[2.2.1]heptan-2-yl)butanamide is CCCC(=O)NC1CC2CCC1O2.
What is the InChIKey of N-(7-oxabicyclo[2.2.1]heptan-2-yl)butanamide?
The InChIKey is JUWZKGHJDAPJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-3-10(12)11-8-6-7-4-5-9(8)13-7/h7-9H,2-6H2,1H3,(H,11,12).
What are the key properties of N-(7-oxabicyclo[2.2.1]heptan-2-yl)butanamide?
N-(7-oxabicyclo[2.2.1]heptan-2-yl)butanamide has a molecular weight of 183.25 g/mol, XLogP of 1.22, 3 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)butanamide is sourced from PubChem (CID 80601437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).