13-hydroxy-12-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6-trien-8-one

C15H17NO3 — CID 15485992

IUPAC13-hydroxy-12-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6-trien-8-one
SMILESO=C1c2ccccc2C2CCCC3(O)OCCN1C23
InChIInChI=1S/C15H17NO3/c17-14-12-5-2-1-4-10(12)11-6-3-7-15(18)13(11)16(14)8-9-19-15/h1-2,4-5,11,13,18H,3,6-9H2
InChIKeyYDYOAJCOTAWGLU-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.50
Rot. Bonds

About 13-hydroxy-12-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6-trien-8-one

13-hydroxy-12-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6-trien-8-one (PubChem CID 15485992) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is 13-hydroxy-12-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6-trien-8-one.

Molecular Properties

Compound Name13-hydroxy-12-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6-trien-8-one
PubChem CID15485992
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name13-hydroxy-12-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6-trien-8-one
SMILESO=C1c2ccccc2C2CCCC3(O)OCCN1C23
InChIInChI=1S/C15H17NO3/c17-14-12-5-2-1-4-10(12)11-6-3-7-15(18)13(11)16(14)8-9-19-15/h1-2,4-5,11,13,18H,3,6-9H2
InChIKeyYDYOAJCOTAWGLU-UHFFFAOYSA-N
XLogP1.50
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 13-hydroxy-12-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6-trien-8-one with MolForge

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Related Compounds

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CID 14909433
(4R)-1-oxo-2-[[(2S)-oxolan-2-yl]methyl]spiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxylic acid
CID 94217929
1,2,3,4,4a,9a-hexahydrofluoren-9-one
CID 604181
(3aS,8bR)-2,3,3a,8b-tetrahydro-1H-cyclopenta[a]inden-4-one
CID 102345002
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CID 102735274
(1S,10R,13R)-9-azatetracyclo[7.4.1.02,7.010,13]tetradeca-2,4,6,11-tetraen-8-one
CID 101429242
11-azatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaen-12-one
CID 3800854
2-methyl-1a,7b-dihydro-1H-cyclopropa[c]isoquinolin-3-one
CID 121006099
8-oxo-N-propan-2-yl-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide
CID 3312380
(4S)-2-benzyl-1-oxo-N-[[(2S)-oxolan-2-yl]methyl]spiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide
CID 95792434
(13R,13aS)-8-oxo-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxylic acid
CID 51659728

Frequently Asked Questions

What is the IUPAC name of 13-hydroxy-12-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6-trien-8-one?
The IUPAC name of 13-hydroxy-12-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6-trien-8-one (CID 15485992) is 13-hydroxy-12-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6-trien-8-one.
What is the SMILES notation for 13-hydroxy-12-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6-trien-8-one?
The canonical SMILES for 13-hydroxy-12-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6-trien-8-one is O=C1c2ccccc2C2CCCC3(O)OCCN1C23.
What is the InChIKey of 13-hydroxy-12-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6-trien-8-one?
The InChIKey is YDYOAJCOTAWGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c17-14-12-5-2-1-4-10(12)11-6-3-7-15(18)13(11)16(14)8-9-19-15/h1-2,4-5,11,13,18H,3,6-9H2.
What are the key properties of 13-hydroxy-12-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6-trien-8-one?
13-hydroxy-12-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6-trien-8-one has a molecular weight of 259.30 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-hydroxy-12-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6-trien-8-one is sourced from PubChem (CID 15485992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).