N-(7-oxabicyclo[2.2.1]heptan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide

C13H19NO2 — CID 80731930

IUPACN-(7-oxabicyclo[2.2.1]heptan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(NC1CC2CCC1O2)C1CC2CC2C1
InChIInChI=1S/C13H19NO2/c15-13(9-4-7-3-8(7)5-9)14-11-6-10-1-2-12(11)16-10/h7-12H,1-6H2,(H,14,15)
InChIKeyCQTHDWVCESHWTE-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.47
Rot. Bonds2

About N-(7-oxabicyclo[2.2.1]heptan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide

N-(7-oxabicyclo[2.2.1]heptan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 80731930) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(7-oxabicyclo[2.2.1]heptan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound NameN-(7-oxabicyclo[2.2.1]heptan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide
PubChem CID80731930
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-(7-oxabicyclo[2.2.1]heptan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(NC1CC2CCC1O2)C1CC2CC2C1
InChIInChI=1S/C13H19NO2/c15-13(9-4-7-3-8(7)5-9)14-11-6-10-1-2-12(11)16-10/h7-12H,1-6H2,(H,14,15)
InChIKeyCQTHDWVCESHWTE-UHFFFAOYSA-N
XLogP1.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(7-oxabicyclo[2.2.1]heptan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

9-amino-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120990013
7-oxabicyclo[2.2.1]heptan-2-ylcarbamic acid
CID 67016834
N-[(1R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide
CID 91023793
4-amino-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide
CID 80732812
5-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102688738
methyl 2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)cyclobutane-1-carboxylate
CID 136542022
2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 80717724
2-methyl-N-[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide
CID 131020268
N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119327690
2-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119790821
(4S)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 119327692
(2R)-2-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
CID 80721261

Frequently Asked Questions

What is the IUPAC name of N-(7-oxabicyclo[2.2.1]heptan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of N-(7-oxabicyclo[2.2.1]heptan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide (CID 80731930) is N-(7-oxabicyclo[2.2.1]heptan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for N-(7-oxabicyclo[2.2.1]heptan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for N-(7-oxabicyclo[2.2.1]heptan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide is O=C(NC1CC2CCC1O2)C1CC2CC2C1.
What is the InChIKey of N-(7-oxabicyclo[2.2.1]heptan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is CQTHDWVCESHWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c15-13(9-4-7-3-8(7)5-9)14-11-6-10-1-2-12(11)16-10/h7-12H,1-6H2,(H,14,15).
What are the key properties of N-(7-oxabicyclo[2.2.1]heptan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide?
N-(7-oxabicyclo[2.2.1]heptan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 1.47, 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)bicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 80731930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).