10-oxa-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-2-ol

C19H11NO2 — CID 137275888

IUPAC10-oxa-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-2-ol
SMILESOc1c2cnc3ccccc3c2cc2oc3ccccc3c12
InChIInChI=1S/C19H11NO2/c21-19-14-10-20-15-7-3-1-5-11(15)13(14)9-17-18(19)12-6-2-4-8-16(12)22-17/h1-10,21H
InChIKeyADTCSZRTSCXTSQ-UHFFFAOYSA-N
MW285.30 g/mol
LogP4.99
Rot. Bonds

About 10-oxa-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-2-ol

10-oxa-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-2-ol (PubChem CID 137275888) has the molecular formula C19H11NO2 and a molecular weight of 285.30 g/mol. Its IUPAC name is 10-oxa-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-2-ol.

Molecular Properties

Compound Name10-oxa-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-2-ol
PubChem CID137275888
Molecular FormulaC19H11NO2
Molecular Weight285.30 g/mol
Exact Mass285.08
IUPAC Name10-oxa-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-2-ol
SMILESOc1c2cnc3ccccc3c2cc2oc3ccccc3c12
InChIInChI=1S/C19H11NO2/c21-19-14-10-20-15-7-3-1-5-11(15)13(14)9-17-18(19)12-6-2-4-8-16(12)22-17/h1-10,21H
InChIKeyADTCSZRTSCXTSQ-UHFFFAOYSA-N
XLogP4.99
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 10-oxa-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-2-ol with MolForge

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Related Compounds

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2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
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Frequently Asked Questions

What is the IUPAC name of 10-oxa-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-2-ol?
The IUPAC name of 10-oxa-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-2-ol (CID 137275888) is 10-oxa-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-2-ol.
What is the SMILES notation for 10-oxa-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-2-ol?
The canonical SMILES for 10-oxa-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-2-ol is Oc1c2cnc3ccccc3c2cc2oc3ccccc3c12.
What is the InChIKey of 10-oxa-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-2-ol?
The InChIKey is ADTCSZRTSCXTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11NO2/c21-19-14-10-20-15-7-3-1-5-11(15)13(14)9-17-18(19)12-6-2-4-8-16(12)22-17/h1-10,21H.
What are the key properties of 10-oxa-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-2-ol?
10-oxa-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-2-ol has a molecular weight of 285.30 g/mol, XLogP of 4.99, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxa-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-2-ol is sourced from PubChem (CID 137275888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).