11-propyl-11-azapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),8,13,15(19)-hexaene-6,16-dione

C21H19NO2 — CID 58544895

IUPAC11-propyl-11-azapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),8,13,15(19)-hexaene-6,16-dione
SMILESCCCn1c2ccc3c(c2c2c4c(ccc21)C(=O)CC4)CCC3=O
InChIInChI=1S/C21H19NO2/c1-2-11-22-16-7-3-12-14(5-9-18(12)23)20(16)21-15-6-10-19(24)13(15)4-8-17(21)22/h3-4,7-8H,2,5-6,9-11H2,1H3
InChIKeyJCHOIMSJGPOXEH-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.46
Rot. Bonds2

About 11-propyl-11-azapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),8,13,15(19)-hexaene-6,16-dione

11-propyl-11-azapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),8,13,15(19)-hexaene-6,16-dione (PubChem CID 58544895) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 11-propyl-11-azapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),8,13,15(19)-hexaene-6,16-dione.

Molecular Properties

Compound Name11-propyl-11-azapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),8,13,15(19)-hexaene-6,16-dione
PubChem CID58544895
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name11-propyl-11-azapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),8,13,15(19)-hexaene-6,16-dione
SMILESCCCn1c2ccc3c(c2c2c4c(ccc21)C(=O)CC4)CCC3=O
InChIInChI=1S/C21H19NO2/c1-2-11-22-16-7-3-12-14(5-9-18(12)23)20(16)21-15-6-10-19(24)13(15)4-8-17(21)22/h3-4,7-8H,2,5-6,9-11H2,1H3
InChIKeyJCHOIMSJGPOXEH-UHFFFAOYSA-N
XLogP4.46
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 11-propyl-11-azapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),8,13,15(19)-hexaene-6,16-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-propyl-11-azapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),8,13,15(19)-hexaene-6,16-dione?
The IUPAC name of 11-propyl-11-azapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),8,13,15(19)-hexaene-6,16-dione (CID 58544895) is 11-propyl-11-azapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),8,13,15(19)-hexaene-6,16-dione.
What is the SMILES notation for 11-propyl-11-azapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),8,13,15(19)-hexaene-6,16-dione?
The canonical SMILES for 11-propyl-11-azapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),8,13,15(19)-hexaene-6,16-dione is CCCn1c2ccc3c(c2c2c4c(ccc21)C(=O)CC4)CCC3=O.
What is the InChIKey of 11-propyl-11-azapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),8,13,15(19)-hexaene-6,16-dione?
The InChIKey is JCHOIMSJGPOXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2/c1-2-11-22-16-7-3-12-14(5-9-18(12)23)20(16)21-15-6-10-19(24)13(15)4-8-17(21)22/h3-4,7-8H,2,5-6,9-11H2,1H3.
What are the key properties of 11-propyl-11-azapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),8,13,15(19)-hexaene-6,16-dione?
11-propyl-11-azapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),8,13,15(19)-hexaene-6,16-dione has a molecular weight of 317.39 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-propyl-11-azapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),8,13,15(19)-hexaene-6,16-dione is sourced from PubChem (CID 58544895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).