10-oxido-11-oxa-10-azapentacyclo[6.5.1.13,6.02,7.09,13]pentadec-5-ene

C13H16NO2- — CID 163458366

IUPAC10-oxido-11-oxa-10-azapentacyclo[6.5.1.13,6.02,7.09,13]pentadec-5-ene
SMILES[O-]N1OCC2C3CC(C4C5=CCC(C5)C34)C21
InChIInChI=1S/C13H16NO2/c15-14-13-9-4-8(10(13)5-16-14)11-6-1-2-7(3-6)12(9)11/h2,6,8-13H,1,3-5H2/q-1
InChIKeyOZVJLRDXAQMKLV-UHFFFAOYSA-N
MW218.28 g/mol
LogP1.95
Rot. Bonds

About 10-oxido-11-oxa-10-azapentacyclo[6.5.1.13,6.02,7.09,13]pentadec-5-ene

10-oxido-11-oxa-10-azapentacyclo[6.5.1.13,6.02,7.09,13]pentadec-5-ene (PubChem CID 163458366) has the molecular formula C13H16NO2- and a molecular weight of 218.28 g/mol. Its IUPAC name is 10-oxido-11-oxa-10-azapentacyclo[6.5.1.13,6.02,7.09,13]pentadec-5-ene.

Molecular Properties

Compound Name10-oxido-11-oxa-10-azapentacyclo[6.5.1.13,6.02,7.09,13]pentadec-5-ene
PubChem CID163458366
Molecular FormulaC13H16NO2-
Molecular Weight218.28 g/mol
Exact Mass218.12
IUPAC Name10-oxido-11-oxa-10-azapentacyclo[6.5.1.13,6.02,7.09,13]pentadec-5-ene
SMILES[O-]N1OCC2C3CC(C4C5=CCC(C5)C34)C21
InChIInChI=1S/C13H16NO2/c15-14-13-9-4-8(10(13)5-16-14)11-6-1-2-7(3-6)12(9)11/h2,6,8-13H,1,3-5H2/q-1
InChIKeyOZVJLRDXAQMKLV-UHFFFAOYSA-N
XLogP1.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 10-oxido-11-oxa-10-azapentacyclo[6.5.1.13,6.02,7.09,13]pentadec-5-ene with MolForge

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Related Compounds

(1R)-3-oxido-4-oxa-3-azatricyclo[5.2.1.02,6]decane
CID 163489177
tricyclo[3.2.1.03,8]oct-1(7)-ene
CID 123400934
trimethoxy(4-tetracyclo[6.2.1.13,6.02,7]dodec-8-enyl)silane
CID 140537347
tetracyclo[5.4.0.02,10.03,5]undec-7-ene
CID 147386331
(1Z)-tricyclo[7.1.0.04,6]dec-1-ene
CID 10441753
(1R,4S,5R,7S,8S,13S,14R,16S)-heptacyclo[7.7.0.02,13.03,8.04,12.05,7.014,16]hexadecane-10,11-dione
CID 100896530
azane;5-ethylbicyclo[2.1.1]hex-1-ene
CID 174366157
(3S,6S,8S,11S,12S,15R,16S,19S,21R)-8,19-dimethoxypentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-ene
CID 163080633
4,5-dimethyl-11-oxapentacyclo[6.6.1.13,6.02,7.09,14]hexadecan-12-one
CID 21049847
4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.02,10.03,7.015,19]icosa-7,15(19)-diene
CID 70953477
1-tetracyclo[6.2.1.13,6.02,7]dodec-5-enyl acetate
CID 101150225
5-cyclopent-2-en-1-yloxy-4-oxatricyclo[5.2.1.02,6]dec-1(9)-en-3-one
CID 70564349

Frequently Asked Questions

What is the IUPAC name of 10-oxido-11-oxa-10-azapentacyclo[6.5.1.13,6.02,7.09,13]pentadec-5-ene?
The IUPAC name of 10-oxido-11-oxa-10-azapentacyclo[6.5.1.13,6.02,7.09,13]pentadec-5-ene (CID 163458366) is 10-oxido-11-oxa-10-azapentacyclo[6.5.1.13,6.02,7.09,13]pentadec-5-ene.
What is the SMILES notation for 10-oxido-11-oxa-10-azapentacyclo[6.5.1.13,6.02,7.09,13]pentadec-5-ene?
The canonical SMILES for 10-oxido-11-oxa-10-azapentacyclo[6.5.1.13,6.02,7.09,13]pentadec-5-ene is [O-]N1OCC2C3CC(C4C5=CCC(C5)C34)C21.
What is the InChIKey of 10-oxido-11-oxa-10-azapentacyclo[6.5.1.13,6.02,7.09,13]pentadec-5-ene?
The InChIKey is OZVJLRDXAQMKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16NO2/c15-14-13-9-4-8(10(13)5-16-14)11-6-1-2-7(3-6)12(9)11/h2,6,8-13H,1,3-5H2/q-1.
What are the key properties of 10-oxido-11-oxa-10-azapentacyclo[6.5.1.13,6.02,7.09,13]pentadec-5-ene?
10-oxido-11-oxa-10-azapentacyclo[6.5.1.13,6.02,7.09,13]pentadec-5-ene has a molecular weight of 218.28 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxido-11-oxa-10-azapentacyclo[6.5.1.13,6.02,7.09,13]pentadec-5-ene is sourced from PubChem (CID 163458366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).