(12S)-11-oxa-5-azatetracyclo[8.5.0.02,7.012,15]pentadeca-1(10),2(7),5,8-tetraene

C13H13NO — CID 142198137

IUPAC(12S)-11-oxa-5-azatetracyclo[8.5.0.02,7.012,15]pentadeca-1(10),2(7),5,8-tetraene
SMILESC1=NCCc2c1ccc1c2C2CC[C@@H]2O1
InChIInChI=1S/C13H13NO/c1-3-12-13(10-2-4-11(10)15-12)9-5-6-14-7-8(1)9/h1,3,7,10-11H,2,4-6H2/t10?,11-/m0/s1
InChIKeyBOVMWQSKGZXOTA-DTIOYNMSSA-N
MW199.25 g/mol
LogP2.30
Rot. Bonds

About (12S)-11-oxa-5-azatetracyclo[8.5.0.02,7.012,15]pentadeca-1(10),2(7),5,8-tetraene

(12S)-11-oxa-5-azatetracyclo[8.5.0.02,7.012,15]pentadeca-1(10),2(7),5,8-tetraene (PubChem CID 142198137) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is (12S)-11-oxa-5-azatetracyclo[8.5.0.02,7.012,15]pentadeca-1(10),2(7),5,8-tetraene.

Molecular Properties

Compound Name(12S)-11-oxa-5-azatetracyclo[8.5.0.02,7.012,15]pentadeca-1(10),2(7),5,8-tetraene
PubChem CID142198137
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name(12S)-11-oxa-5-azatetracyclo[8.5.0.02,7.012,15]pentadeca-1(10),2(7),5,8-tetraene
SMILESC1=NCCc2c1ccc1c2C2CC[C@@H]2O1
InChIInChI=1S/C13H13NO/c1-3-12-13(10-2-4-11(10)15-12)9-5-6-14-7-8(1)9/h1,3,7,10-11H,2,4-6H2/t10?,11-/m0/s1
InChIKeyBOVMWQSKGZXOTA-DTIOYNMSSA-N
XLogP2.30
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (12S)-11-oxa-5-azatetracyclo[8.5.0.02,7.012,15]pentadeca-1(10),2(7),5,8-tetraene?
The IUPAC name of (12S)-11-oxa-5-azatetracyclo[8.5.0.02,7.012,15]pentadeca-1(10),2(7),5,8-tetraene (CID 142198137) is (12S)-11-oxa-5-azatetracyclo[8.5.0.02,7.012,15]pentadeca-1(10),2(7),5,8-tetraene.
What is the SMILES notation for (12S)-11-oxa-5-azatetracyclo[8.5.0.02,7.012,15]pentadeca-1(10),2(7),5,8-tetraene?
The canonical SMILES for (12S)-11-oxa-5-azatetracyclo[8.5.0.02,7.012,15]pentadeca-1(10),2(7),5,8-tetraene is C1=NCCc2c1ccc1c2C2CC[C@@H]2O1.
What is the InChIKey of (12S)-11-oxa-5-azatetracyclo[8.5.0.02,7.012,15]pentadeca-1(10),2(7),5,8-tetraene?
The InChIKey is BOVMWQSKGZXOTA-DTIOYNMSSA-N. The full InChI is InChI=1S/C13H13NO/c1-3-12-13(10-2-4-11(10)15-12)9-5-6-14-7-8(1)9/h1,3,7,10-11H,2,4-6H2/t10?,11-/m0/s1.
What are the key properties of (12S)-11-oxa-5-azatetracyclo[8.5.0.02,7.012,15]pentadeca-1(10),2(7),5,8-tetraene?
(12S)-11-oxa-5-azatetracyclo[8.5.0.02,7.012,15]pentadeca-1(10),2(7),5,8-tetraene has a molecular weight of 199.25 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (12S)-11-oxa-5-azatetracyclo[8.5.0.02,7.012,15]pentadeca-1(10),2(7),5,8-tetraene is sourced from PubChem (CID 142198137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).