20-oxa-2-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),3,5,7,9,11,14,16,18-nonaen-21-one

C19H11NO2 — CID 132552377

IUPAC20-oxa-2-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),3,5,7,9,11,14,16,18-nonaen-21-one
SMILESO=c1oc2ccccc2c2cc3ccc4ccccc4n3c12
InChIInChI=1S/C19H11NO2/c21-19-18-15(14-6-2-4-8-17(14)22-19)11-13-10-9-12-5-1-3-7-16(12)20(13)18/h1-11H
InChIKeyPBJQPKNVTVYEIU-UHFFFAOYSA-N
MW285.30 g/mol
LogP4.35
Rot. Bonds

About 20-oxa-2-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),3,5,7,9,11,14,16,18-nonaen-21-one

20-oxa-2-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),3,5,7,9,11,14,16,18-nonaen-21-one (PubChem CID 132552377) has the molecular formula C19H11NO2 and a molecular weight of 285.30 g/mol. Its IUPAC name is 20-oxa-2-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),3,5,7,9,11,14,16,18-nonaen-21-one.

Molecular Properties

Compound Name20-oxa-2-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),3,5,7,9,11,14,16,18-nonaen-21-one
PubChem CID132552377
Molecular FormulaC19H11NO2
Molecular Weight285.30 g/mol
Exact Mass285.08
IUPAC Name20-oxa-2-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),3,5,7,9,11,14,16,18-nonaen-21-one
SMILESO=c1oc2ccccc2c2cc3ccc4ccccc4n3c12
InChIInChI=1S/C19H11NO2/c21-19-18-15(14-6-2-4-8-17(14)22-19)11-13-10-9-12-5-1-3-7-16(12)20(13)18/h1-11H
InChIKeyPBJQPKNVTVYEIU-UHFFFAOYSA-N
XLogP4.35
TPSA34.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 20-oxa-2-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),3,5,7,9,11,14,16,18-nonaen-21-one with MolForge

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Related Compounds

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CID 177426300
4,23-dioxa-1,20-diazaundecacyclo[19.17.1.12,13.03,11.05,10.014,19.022,30.024,29.032,39.033,38.020,40]tetraconta-2(40),3(11),5,7,9,12,14,16,18,21(39),22(30),24,26,28,31,33,35,37-octadecaene
CID 171595148
20-oxa-1-azaoctacyclo[14.13.1.02,7.08,30.09,14.017,29.019,27.021,26]triaconta-2,4,6,8(30),9,11,13,15,17(29),18,21,23,25,27-tetradecaene
CID 146376253
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CID 139436379
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CID 146376243

Frequently Asked Questions

What is the IUPAC name of 20-oxa-2-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),3,5,7,9,11,14,16,18-nonaen-21-one?
The IUPAC name of 20-oxa-2-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),3,5,7,9,11,14,16,18-nonaen-21-one (CID 132552377) is 20-oxa-2-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),3,5,7,9,11,14,16,18-nonaen-21-one.
What is the SMILES notation for 20-oxa-2-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),3,5,7,9,11,14,16,18-nonaen-21-one?
The canonical SMILES for 20-oxa-2-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),3,5,7,9,11,14,16,18-nonaen-21-one is O=c1oc2ccccc2c2cc3ccc4ccccc4n3c12.
What is the InChIKey of 20-oxa-2-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),3,5,7,9,11,14,16,18-nonaen-21-one?
The InChIKey is PBJQPKNVTVYEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11NO2/c21-19-18-15(14-6-2-4-8-17(14)22-19)11-13-10-9-12-5-1-3-7-16(12)20(13)18/h1-11H.
What are the key properties of 20-oxa-2-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),3,5,7,9,11,14,16,18-nonaen-21-one?
20-oxa-2-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),3,5,7,9,11,14,16,18-nonaen-21-one has a molecular weight of 285.30 g/mol, XLogP of 4.35, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 20-oxa-2-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),3,5,7,9,11,14,16,18-nonaen-21-one is sourced from PubChem (CID 132552377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).