1-hydroxy-17-methyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione

C19H15NO3 — CID 14267445

IUPAC1-hydroxy-17-methyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
SMILESCN1C(=O)C2C3c4ccccc4C(O)(c4ccccc43)C2C1=O
InChIInChI=1S/C19H15NO3/c1-20-17(21)15-14-10-6-2-4-8-12(10)19(23,16(15)18(20)22)13-9-5-3-7-11(13)14/h2-9,14-16,23H,1H3
InChIKeyJYJCOMSKUPTVBL-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.61
Rot. Bonds

About 1-hydroxy-17-methyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione

1-hydroxy-17-methyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (PubChem CID 14267445) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is 1-hydroxy-17-methyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione.

Molecular Properties

Compound Name1-hydroxy-17-methyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
PubChem CID14267445
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name1-hydroxy-17-methyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
SMILESCN1C(=O)C2C3c4ccccc4C(O)(c4ccccc43)C2C1=O
InChIInChI=1S/C19H15NO3/c1-20-17(21)15-14-10-6-2-4-8-12(10)19(23,16(15)18(20)22)13-9-5-3-7-11(13)14/h2-9,14-16,23H,1H3
InChIKeyJYJCOMSKUPTVBL-UHFFFAOYSA-N
XLogP1.61
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-hydroxy-17-methyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione with MolForge

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Related Compounds

1-Amino-8-hydroxy-17-methyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 360116
3,13-Dichloro-17-cyclohexyl-1-hydroxy-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione
CID 74343750
1-Hydroxy-17-propan-2-yl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 101856283
17-Tert-butyl-1-hydroxy-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 101856284
17-Cyclohexyl-1-hydroxy-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 101856285
17-Benzyl-1-hydroxy-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 101856286
17-Benzhydryl-1-hydroxy-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 101856287
(3aS,4R,9aS)-2-tert-butyl-4-hydroxy-4-phenyl-9,9a-dihydro-3aH-benzo[f]isoindole-1,3-dione
CID 132599616
(3aS,4R,9aS)-2-tert-butyl-4-(3,5-ditert-butylphenyl)-4-hydroxy-9,9a-dihydro-3aH-benzo[f]isoindole-1,3-dione
CID 132599623
(3aS,4R,9aS)-4-hydroxy-4-phenyl-9,9a-dihydro-3aH-benzo[f]isoindole-1,3-dione
CID 134954382
(7R,7aS,10aS)-9-tert-butyl-7-hydroxy-7-phenyl-1,2,3,7a,10a,10b-hexahydrophenaleno[1,2-c]pyrrole-8,10-dione
CID 134954383
17-Ethyl-1-hydroxy-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 139259815

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-17-methyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione?
The IUPAC name of 1-hydroxy-17-methyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (CID 14267445) is 1-hydroxy-17-methyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione.
What is the SMILES notation for 1-hydroxy-17-methyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione?
The canonical SMILES for 1-hydroxy-17-methyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione is CN1C(=O)C2C3c4ccccc4C(O)(c4ccccc43)C2C1=O.
What is the InChIKey of 1-hydroxy-17-methyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione?
The InChIKey is JYJCOMSKUPTVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c1-20-17(21)15-14-10-6-2-4-8-12(10)19(23,16(15)18(20)22)13-9-5-3-7-11(13)14/h2-9,14-16,23H,1H3.
What are the key properties of 1-hydroxy-17-methyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione?
1-hydroxy-17-methyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione has a molecular weight of 305.33 g/mol, XLogP of 1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-17-methyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione is sourced from PubChem (CID 14267445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).