(6S,11S)-11-hydroxy-7-oxa-2-azatetracyclo[10.4.0.02,6.06,10]hexadeca-1(16),8,12,14-tetraen-3-one

C14H13NO3 — CID 134844769

IUPAC(6S,11S)-11-hydroxy-7-oxa-2-azatetracyclo[10.4.0.02,6.06,10]hexadeca-1(16),8,12,14-tetraen-3-one
SMILESO=C1CC[C@]23OC=CC2[C@H](O)c2ccccc2N13
InChIInChI=1S/C14H13NO3/c16-12-5-7-14-10(6-8-18-14)13(17)9-3-1-2-4-11(9)15(12)14/h1-4,6,8,10,13,17H,5,7H2/t10?,13-,14+/m1/s1
InChIKeyROQLXSHBIFXQPG-ADSMYIAOSA-N
MW243.26 g/mol
LogP1.72
Rot. Bonds

About (6S,11S)-11-hydroxy-7-oxa-2-azatetracyclo[10.4.0.02,6.06,10]hexadeca-1(16),8,12,14-tetraen-3-one

(6S,11S)-11-hydroxy-7-oxa-2-azatetracyclo[10.4.0.02,6.06,10]hexadeca-1(16),8,12,14-tetraen-3-one (PubChem CID 134844769) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is (6S,11S)-11-hydroxy-7-oxa-2-azatetracyclo[10.4.0.02,6.06,10]hexadeca-1(16),8,12,14-tetraen-3-one.

Molecular Properties

Compound Name(6S,11S)-11-hydroxy-7-oxa-2-azatetracyclo[10.4.0.02,6.06,10]hexadeca-1(16),8,12,14-tetraen-3-one
PubChem CID134844769
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name(6S,11S)-11-hydroxy-7-oxa-2-azatetracyclo[10.4.0.02,6.06,10]hexadeca-1(16),8,12,14-tetraen-3-one
SMILESO=C1CC[C@]23OC=CC2[C@H](O)c2ccccc2N13
InChIInChI=1S/C14H13NO3/c16-12-5-7-14-10(6-8-18-14)13(17)9-3-1-2-4-11(9)15(12)14/h1-4,6,8,10,13,17H,5,7H2/t10?,13-,14+/m1/s1
InChIKeyROQLXSHBIFXQPG-ADSMYIAOSA-N
XLogP1.72
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

13,14,15-trihydroxy-16-oxa-5-azatetracyclo[10.3.1.01,5.06,11]hexadeca-6,8,10-trien-4-one
CID 155807601
(7aR)-3,4,5,6,7,7a-hexahydro-2H-pyrrolo[2,1-k]carbazol-1-one
CID 132551726
15-ethyl-9-hydroxy-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-triene-10,18-dione
CID 78156562
(3aS)-3a-(trifluoromethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]benzimidazol-1-one
CID 86337079
6-(2-hydroxyphenyl)-1-oxa-6-azaspiro[4.4]nonane-2,7-dione
CID 23044514
(8S,15R)-15-ethyl-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-trien-18-one
CID 72715580
(8S,15R,19S)-15-ethyl-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-trien-18-one
CID 134952791
15-methyl-16-oxa-11-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9-pentaene-12,17-dione
CID 46223611
(3aS)-3a-propyl-3,4-dihydro-2H-pyrrolo[1,2-a]benzimidazol-1-one
CID 41286244
(1S,6R,7S,16S,17R,18S,19R)-16,18,19-trihydroxy-6-methyl-5,20-dioxa-3,9-diazapentacyclo[15.2.1.01,9.03,7.010,15]icosa-10,12,14-triene-2,8-dione
CID 102448263
(3aR)-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxylate
CID 2088768
15-ethyl-8-hydroxy-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-trien-18-one
CID 78155425

Frequently Asked Questions

What is the IUPAC name of (6S,11S)-11-hydroxy-7-oxa-2-azatetracyclo[10.4.0.02,6.06,10]hexadeca-1(16),8,12,14-tetraen-3-one?
The IUPAC name of (6S,11S)-11-hydroxy-7-oxa-2-azatetracyclo[10.4.0.02,6.06,10]hexadeca-1(16),8,12,14-tetraen-3-one (CID 134844769) is (6S,11S)-11-hydroxy-7-oxa-2-azatetracyclo[10.4.0.02,6.06,10]hexadeca-1(16),8,12,14-tetraen-3-one.
What is the SMILES notation for (6S,11S)-11-hydroxy-7-oxa-2-azatetracyclo[10.4.0.02,6.06,10]hexadeca-1(16),8,12,14-tetraen-3-one?
The canonical SMILES for (6S,11S)-11-hydroxy-7-oxa-2-azatetracyclo[10.4.0.02,6.06,10]hexadeca-1(16),8,12,14-tetraen-3-one is O=C1CC[C@]23OC=CC2[C@H](O)c2ccccc2N13.
What is the InChIKey of (6S,11S)-11-hydroxy-7-oxa-2-azatetracyclo[10.4.0.02,6.06,10]hexadeca-1(16),8,12,14-tetraen-3-one?
The InChIKey is ROQLXSHBIFXQPG-ADSMYIAOSA-N. The full InChI is InChI=1S/C14H13NO3/c16-12-5-7-14-10(6-8-18-14)13(17)9-3-1-2-4-11(9)15(12)14/h1-4,6,8,10,13,17H,5,7H2/t10?,13-,14+/m1/s1.
What are the key properties of (6S,11S)-11-hydroxy-7-oxa-2-azatetracyclo[10.4.0.02,6.06,10]hexadeca-1(16),8,12,14-tetraen-3-one?
(6S,11S)-11-hydroxy-7-oxa-2-azatetracyclo[10.4.0.02,6.06,10]hexadeca-1(16),8,12,14-tetraen-3-one has a molecular weight of 243.26 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,11S)-11-hydroxy-7-oxa-2-azatetracyclo[10.4.0.02,6.06,10]hexadeca-1(16),8,12,14-tetraen-3-one is sourced from PubChem (CID 134844769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).