(1-methylcyclopropyl) 8-oxa-10-azabicyclo[4.3.1]decane-10-carboxylate

C13H21NO3 — CID 123462864

IUPAC(1-methylcyclopropyl) 8-oxa-10-azabicyclo[4.3.1]decane-10-carboxylate
SMILESCC1(OC(=O)N2C3CCCCC2COC3)CC1
InChIInChI=1S/C13H21NO3/c1-13(6-7-13)17-12(15)14-10-4-2-3-5-11(14)9-16-8-10/h10-11H,2-9H2,1H3
InChIKeyCQCPBDWDDOBFLW-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.32
Rot. Bonds1

About (1-methylcyclopropyl) 8-oxa-10-azabicyclo[4.3.1]decane-10-carboxylate

(1-methylcyclopropyl) 8-oxa-10-azabicyclo[4.3.1]decane-10-carboxylate (PubChem CID 123462864) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is (1-methylcyclopropyl) 8-oxa-10-azabicyclo[4.3.1]decane-10-carboxylate.

Molecular Properties

Compound Name(1-methylcyclopropyl) 8-oxa-10-azabicyclo[4.3.1]decane-10-carboxylate
PubChem CID123462864
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name(1-methylcyclopropyl) 8-oxa-10-azabicyclo[4.3.1]decane-10-carboxylate
SMILESCC1(OC(=O)N2C3CCCCC2COC3)CC1
InChIInChI=1S/C13H21NO3/c1-13(6-7-13)17-12(15)14-10-4-2-3-5-11(14)9-16-8-10/h10-11H,2-9H2,1H3
InChIKeyCQCPBDWDDOBFLW-UHFFFAOYSA-N
XLogP2.32
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1-methylcyclopropyl) 8-oxa-10-azabicyclo[4.3.1]decane-10-carboxylate 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 (1-methylcyclopropyl) 8-oxa-10-azabicyclo[4.3.1]decane-10-carboxylate?
The IUPAC name of (1-methylcyclopropyl) 8-oxa-10-azabicyclo[4.3.1]decane-10-carboxylate (CID 123462864) is (1-methylcyclopropyl) 8-oxa-10-azabicyclo[4.3.1]decane-10-carboxylate.
What is the SMILES notation for (1-methylcyclopropyl) 8-oxa-10-azabicyclo[4.3.1]decane-10-carboxylate?
The canonical SMILES for (1-methylcyclopropyl) 8-oxa-10-azabicyclo[4.3.1]decane-10-carboxylate is CC1(OC(=O)N2C3CCCCC2COC3)CC1.
What is the InChIKey of (1-methylcyclopropyl) 8-oxa-10-azabicyclo[4.3.1]decane-10-carboxylate?
The InChIKey is CQCPBDWDDOBFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-13(6-7-13)17-12(15)14-10-4-2-3-5-11(14)9-16-8-10/h10-11H,2-9H2,1H3.
What are the key properties of (1-methylcyclopropyl) 8-oxa-10-azabicyclo[4.3.1]decane-10-carboxylate?
(1-methylcyclopropyl) 8-oxa-10-azabicyclo[4.3.1]decane-10-carboxylate has a molecular weight of 239.31 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopropyl) 8-oxa-10-azabicyclo[4.3.1]decane-10-carboxylate is sourced from PubChem (CID 123462864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).