(1R,10R,12R)-14-oxa-8-azatetracyclo[8.5.0.01,12.02,7]pentadeca-2,4,6-trien-9-one

C13H13NO2 — CID 138973145

IUPAC(1R,10R,12R)-14-oxa-8-azatetracyclo[8.5.0.01,12.02,7]pentadeca-2,4,6-trien-9-one
SMILESO=C1Nc2ccccc2[C@@]23COC[C@@H]2C[C@@H]13
InChIInChI=1S/C13H13NO2/c15-12-10-5-8-6-16-7-13(8,10)9-3-1-2-4-11(9)14-12/h1-4,8,10H,5-7H2,(H,14,15)/t8-,10-,13+/m0/s1
InChIKeyKNCKPLGHDRRNPU-GMOODISLSA-N
MW215.25 g/mol
LogP1.54
Rot. Bonds

About (1R,10R,12R)-14-oxa-8-azatetracyclo[8.5.0.01,12.02,7]pentadeca-2,4,6-trien-9-one

(1R,10R,12R)-14-oxa-8-azatetracyclo[8.5.0.01,12.02,7]pentadeca-2,4,6-trien-9-one (PubChem CID 138973145) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is (1R,10R,12R)-14-oxa-8-azatetracyclo[8.5.0.01,12.02,7]pentadeca-2,4,6-trien-9-one.

Molecular Properties

Compound Name(1R,10R,12R)-14-oxa-8-azatetracyclo[8.5.0.01,12.02,7]pentadeca-2,4,6-trien-9-one
PubChem CID138973145
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name(1R,10R,12R)-14-oxa-8-azatetracyclo[8.5.0.01,12.02,7]pentadeca-2,4,6-trien-9-one
SMILESO=C1Nc2ccccc2[C@@]23COC[C@@H]2C[C@@H]13
InChIInChI=1S/C13H13NO2/c15-12-10-5-8-6-16-7-13(8,10)9-3-1-2-4-11(9)14-12/h1-4,8,10H,5-7H2,(H,14,15)/t8-,10-,13+/m0/s1
InChIKeyKNCKPLGHDRRNPU-GMOODISLSA-N
XLogP1.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,10R,12R)-14-oxa-8-azatetracyclo[8.5.0.01,12.02,7]pentadeca-2,4,6-trien-9-one with MolForge

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Related Compounds

(1S,10R,12R)-8-azatetracyclo[8.5.0.01,12.02,7]pentadeca-2,4,6-trien-9-one
CID 138973755
5'-methylspiro[1H-indole-3,3'-oxane]-2-one
CID 142424167
3-amino-5,5-dimethyl-3,4-dihydro-1H-1-benzazepin-2-one
CID 22312377
9,9'-spirobi[10H-acridine]
CID 11210173
1'-(oxetan-3-yl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 141437837
spiro[3,4-dihydro-1H-1-benzazepine-5,1'-cyclohexane]-2-one
CID 57173865
[(3R)-2-oxo-1,3-dihydroindol-3-yl]azanium
CID 6921460
3-hydroxy-3-(6-oxaspiro[4.5]decan-9-yl)-1H-indol-2-one
CID 83035071
(1R,10S,13S)-12,12-bis(ethenyl)-14-prop-2-enyl-8,14-diazatetracyclo[8.6.0.01,13.02,7]hexadeca-2,4,6-trien-9-one
CID 52937903
(1R,10R)-12,12-bis(ethenyl)-14-prop-2-enyl-8,14-diazatetracyclo[8.6.0.01,13.02,7]hexadeca-2,4,6-trien-9-one
CID 135073214
spiro[1H-indole-3,1'-cyclopropane]-2-one;hydrochloride
CID 141126988
CID 146949857
CID 146949857

Frequently Asked Questions

What is the IUPAC name of (1R,10R,12R)-14-oxa-8-azatetracyclo[8.5.0.01,12.02,7]pentadeca-2,4,6-trien-9-one?
The IUPAC name of (1R,10R,12R)-14-oxa-8-azatetracyclo[8.5.0.01,12.02,7]pentadeca-2,4,6-trien-9-one (CID 138973145) is (1R,10R,12R)-14-oxa-8-azatetracyclo[8.5.0.01,12.02,7]pentadeca-2,4,6-trien-9-one.
What is the SMILES notation for (1R,10R,12R)-14-oxa-8-azatetracyclo[8.5.0.01,12.02,7]pentadeca-2,4,6-trien-9-one?
The canonical SMILES for (1R,10R,12R)-14-oxa-8-azatetracyclo[8.5.0.01,12.02,7]pentadeca-2,4,6-trien-9-one is O=C1Nc2ccccc2[C@@]23COC[C@@H]2C[C@@H]13.
What is the InChIKey of (1R,10R,12R)-14-oxa-8-azatetracyclo[8.5.0.01,12.02,7]pentadeca-2,4,6-trien-9-one?
The InChIKey is KNCKPLGHDRRNPU-GMOODISLSA-N. The full InChI is InChI=1S/C13H13NO2/c15-12-10-5-8-6-16-7-13(8,10)9-3-1-2-4-11(9)14-12/h1-4,8,10H,5-7H2,(H,14,15)/t8-,10-,13+/m0/s1.
What are the key properties of (1R,10R,12R)-14-oxa-8-azatetracyclo[8.5.0.01,12.02,7]pentadeca-2,4,6-trien-9-one?
(1R,10R,12R)-14-oxa-8-azatetracyclo[8.5.0.01,12.02,7]pentadeca-2,4,6-trien-9-one has a molecular weight of 215.25 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,10R,12R)-14-oxa-8-azatetracyclo[8.5.0.01,12.02,7]pentadeca-2,4,6-trien-9-one is sourced from PubChem (CID 138973145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).