2-methyl-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene-10,14-dione

C20H13NO2 — CID 910121

IUPAC2-methyl-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene-10,14-dione
SMILESCN1C2=C(CC3=C1c1ccccc1C3=O)C(=O)c1ccccc12
InChIInChI=1S/C20H13NO2/c1-21-17-11-6-2-4-8-13(11)19(22)15(17)10-16-18(21)12-7-3-5-9-14(12)20(16)23/h2-9H,10H2,1H3
InChIKeyPBTZYVSYYGJICV-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.54
Rot. Bonds

About 2-methyl-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene-10,14-dione

2-methyl-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene-10,14-dione (PubChem CID 910121) has the molecular formula C20H13NO2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-methyl-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene-10,14-dione.

Molecular Properties

Compound Name2-methyl-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene-10,14-dione
PubChem CID910121
Molecular FormulaC20H13NO2
Molecular Weight299.33 g/mol
Exact Mass299.09
IUPAC Name2-methyl-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene-10,14-dione
SMILESCN1C2=C(CC3=C1c1ccccc1C3=O)C(=O)c1ccccc12
InChIInChI=1S/C20H13NO2/c1-21-17-11-6-2-4-8-13(11)19(22)15(17)10-16-18(21)12-7-3-5-9-14(12)20(16)23/h2-9H,10H2,1H3
InChIKeyPBTZYVSYYGJICV-UHFFFAOYSA-N
XLogP3.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene-10,14-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene-10,14-dione?
The IUPAC name of 2-methyl-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene-10,14-dione (CID 910121) is 2-methyl-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene-10,14-dione.
What is the SMILES notation for 2-methyl-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene-10,14-dione?
The canonical SMILES for 2-methyl-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene-10,14-dione is CN1C2=C(CC3=C1c1ccccc1C3=O)C(=O)c1ccccc12.
What is the InChIKey of 2-methyl-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene-10,14-dione?
The InChIKey is PBTZYVSYYGJICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO2/c1-21-17-11-6-2-4-8-13(11)19(22)15(17)10-16-18(21)12-7-3-5-9-14(12)20(16)23/h2-9H,10H2,1H3.
What are the key properties of 2-methyl-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene-10,14-dione?
2-methyl-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene-10,14-dione has a molecular weight of 299.33 g/mol, XLogP of 3.54, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene-10,14-dione is sourced from PubChem (CID 910121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).