5-butyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene

C12H19NO — CID 74078466

IUPAC5-butyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene
SMILESCCCCC1=NOC2C3CCC(C3)C12
InChIInChI=1S/C12H19NO/c1-2-3-4-10-11-8-5-6-9(7-8)12(11)14-13-10/h8-9,11-12H,2-7H2,1H3
InChIKeyFDRVBFNMICKGSZ-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.98
Rot. Bonds3

About 5-butyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene

5-butyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene (PubChem CID 74078466) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 5-butyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene.

Molecular Properties

Compound Name5-butyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene
PubChem CID74078466
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name5-butyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene
SMILESCCCCC1=NOC2C3CCC(C3)C12
InChIInChI=1S/C12H19NO/c1-2-3-4-10-11-8-5-6-9(7-8)12(11)14-13-10/h8-9,11-12H,2-7H2,1H3
InChIKeyFDRVBFNMICKGSZ-UHFFFAOYSA-N
XLogP2.98
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-butyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene 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

Benz[d]isoxazole, 3a,4,5,6,7,7a-hexahydro-3-ethoxy-4,7-methano-
CID 602386
5-Methyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene
CID 12794218
3-Oxa-4-azatricyclo[5,2,1,0 2,6]dec-4-ene
CID 12857876
rac-((1R,2S,6S,7S)-3-oxa-4-azatricyclo(5.2.1.0,2,6)dec-4-en-5-yl)methanol
CID 167722404
5-Chloro-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene
CID 101483015
(1S,2R,6R,7R)-5-hexyl-4-oxido-3-oxa-4-azoniatricyclo[5.2.1.02,6]dec-4-ene
CID 11845722
(1R,2S,6S,7S)-5-methyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene
CID 102388731
(1R,2S,6S,7S)-5-butyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene
CID 134896927
9-Methyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene
CID 162407293
8-Methyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene
CID 162413633
5-(Trifluoromethyl)-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene
CID 13420233
(1S,2R,6R,7S)-5-(trifluoromethyl)-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene
CID 13420235

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene?
The IUPAC name of 5-butyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene (CID 74078466) is 5-butyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene.
What is the SMILES notation for 5-butyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene?
The canonical SMILES for 5-butyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene is CCCCC1=NOC2C3CCC(C3)C12.
What is the InChIKey of 5-butyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene?
The InChIKey is FDRVBFNMICKGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-2-3-4-10-11-8-5-6-9(7-8)12(11)14-13-10/h8-9,11-12H,2-7H2,1H3.
What are the key properties of 5-butyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene?
5-butyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene has a molecular weight of 193.29 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene is sourced from PubChem (CID 74078466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).