15-oxa-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaen-14-one

C19H11NO2 — CID 118248383

IUPAC15-oxa-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaen-14-one
SMILESO=c1oc2ccccc2c2c1ccc1c3ccccc3[nH]c12
InChIInChI=1S/C19H11NO2/c21-19-14-10-9-12-11-5-1-3-7-15(11)20-18(12)17(14)13-6-2-4-8-16(13)22-19/h1-10,20H
InChIKeySTKPPXADXXEEFP-UHFFFAOYSA-N
MW285.30 g/mol
LogP4.58
Rot. Bonds

About 15-oxa-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaen-14-one

15-oxa-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaen-14-one (PubChem CID 118248383) has the molecular formula C19H11NO2 and a molecular weight of 285.30 g/mol. Its IUPAC name is 15-oxa-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaen-14-one.

Molecular Properties

Compound Name15-oxa-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaen-14-one
PubChem CID118248383
Molecular FormulaC19H11NO2
Molecular Weight285.30 g/mol
Exact Mass285.08
IUPAC Name15-oxa-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaen-14-one
SMILESO=c1oc2ccccc2c2c1ccc1c3ccccc3[nH]c12
InChIInChI=1S/C19H11NO2/c21-19-14-10-9-12-11-5-1-3-7-15(11)20-18(12)17(14)13-6-2-4-8-16(13)22-19/h1-10,20H
InChIKeySTKPPXADXXEEFP-UHFFFAOYSA-N
XLogP4.58
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 15-oxa-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaen-14-one?
The IUPAC name of 15-oxa-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaen-14-one (CID 118248383) is 15-oxa-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaen-14-one.
What is the SMILES notation for 15-oxa-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaen-14-one?
The canonical SMILES for 15-oxa-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaen-14-one is O=c1oc2ccccc2c2c1ccc1c3ccccc3[nH]c12.
What is the InChIKey of 15-oxa-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaen-14-one?
The InChIKey is STKPPXADXXEEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11NO2/c21-19-14-10-9-12-11-5-1-3-7-15(11)20-18(12)17(14)13-6-2-4-8-16(13)22-19/h1-10,20H.
What are the key properties of 15-oxa-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaen-14-one?
15-oxa-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaen-14-one has a molecular weight of 285.30 g/mol, XLogP of 4.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-oxa-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaen-14-one is sourced from PubChem (CID 118248383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).