N-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)propanamide

C9H15NO2 — CID 131131632

IUPACN-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)propanamide
SMILESCCC(=O)NCC1C2COCC12
InChIInChI=1S/C9H15NO2/c1-2-9(11)10-3-6-7-4-12-5-8(6)7/h6-8H,2-5H2,1H3,(H,10,11)
InChIKeyVKIOXQAWWBNVBH-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.41
Rot. Bonds3

About N-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)propanamide

N-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)propanamide (PubChem CID 131131632) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)propanamide.

Molecular Properties

Compound NameN-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)propanamide
PubChem CID131131632
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)propanamide
SMILESCCC(=O)NCC1C2COCC12
InChIInChI=1S/C9H15NO2/c1-2-9(11)10-3-6-7-4-12-5-8(6)7/h6-8H,2-5H2,1H3,(H,10,11)
InChIKeyVKIOXQAWWBNVBH-UHFFFAOYSA-N
XLogP0.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)propanamide?
The IUPAC name of N-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)propanamide (CID 131131632) is N-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)propanamide.
What is the SMILES notation for N-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)propanamide?
The canonical SMILES for N-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)propanamide is CCC(=O)NCC1C2COCC12.
What is the InChIKey of N-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)propanamide?
The InChIKey is VKIOXQAWWBNVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-9(11)10-3-6-7-4-12-5-8(6)7/h6-8H,2-5H2,1H3,(H,10,11).
What are the key properties of N-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)propanamide?
N-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)propanamide has a molecular weight of 169.22 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)propanamide is sourced from PubChem (CID 131131632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).