10-methyl-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaene

C20H15NO — CID 138662202

IUPAC10-methyl-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaene
SMILESCn1c2ccccc2c2cc3c(cc21)Cc1ccccc1O3
InChIInChI=1S/C20H15NO/c1-21-17-8-4-3-7-15(17)16-12-20-14(11-18(16)21)10-13-6-2-5-9-19(13)22-20/h2-9,11-12H,10H2,1H3
InChIKeyMNOLTTUAPDVROD-UHFFFAOYSA-N
MW285.35 g/mol
LogP5.03
Rot. Bonds

About 10-methyl-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaene

10-methyl-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaene (PubChem CID 138662202) has the molecular formula C20H15NO and a molecular weight of 285.35 g/mol. Its IUPAC name is 10-methyl-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaene.

Molecular Properties

Compound Name10-methyl-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaene
PubChem CID138662202
Molecular FormulaC20H15NO
Molecular Weight285.35 g/mol
Exact Mass285.12
IUPAC Name10-methyl-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaene
SMILESCn1c2ccccc2c2cc3c(cc21)Cc1ccccc1O3
InChIInChI=1S/C20H15NO/c1-21-17-8-4-3-7-15(17)16-12-20-14(11-18(16)21)10-13-6-2-5-9-19(13)22-20/h2-9,11-12H,10H2,1H3
InChIKeyMNOLTTUAPDVROD-UHFFFAOYSA-N
XLogP5.03
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.35
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 10-methyl-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaene?
The IUPAC name of 10-methyl-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaene (CID 138662202) is 10-methyl-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaene.
What is the SMILES notation for 10-methyl-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaene?
The canonical SMILES for 10-methyl-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaene is Cn1c2ccccc2c2cc3c(cc21)Cc1ccccc1O3.
What is the InChIKey of 10-methyl-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaene?
The InChIKey is MNOLTTUAPDVROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO/c1-21-17-8-4-3-7-15(17)16-12-20-14(11-18(16)21)10-13-6-2-5-9-19(13)22-20/h2-9,11-12H,10H2,1H3.
What are the key properties of 10-methyl-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaene?
10-methyl-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaene has a molecular weight of 285.35 g/mol, XLogP of 5.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaene is sourced from PubChem (CID 138662202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).