10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),5,8,13(17),14-hexaene-3,4-dione

C17H13NO2 — CID 10015619

IUPAC10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),5,8,13(17),14-hexaene-3,4-dione
SMILESCN1CCc2cccc3c4c(cc1c23)C=CC(=O)C4=O
InChIInChI=1S/C17H13NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,9H,7-8H2,1H3
InChIKeyDZZIOGKZAPZOCK-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.61
Rot. Bonds

About 10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),5,8,13(17),14-hexaene-3,4-dione

10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),5,8,13(17),14-hexaene-3,4-dione (PubChem CID 10015619) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),5,8,13(17),14-hexaene-3,4-dione.

Molecular Properties

Compound Name10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),5,8,13(17),14-hexaene-3,4-dione
PubChem CID10015619
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),5,8,13(17),14-hexaene-3,4-dione
SMILESCN1CCc2cccc3c4c(cc1c23)C=CC(=O)C4=O
InChIInChI=1S/C17H13NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,9H,7-8H2,1H3
InChIKeyDZZIOGKZAPZOCK-UHFFFAOYSA-N
XLogP2.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),5,8,13(17),14-hexaene-3,4-dione?
The IUPAC name of 10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),5,8,13(17),14-hexaene-3,4-dione (CID 10015619) is 10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),5,8,13(17),14-hexaene-3,4-dione.
What is the SMILES notation for 10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),5,8,13(17),14-hexaene-3,4-dione?
The canonical SMILES for 10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),5,8,13(17),14-hexaene-3,4-dione is CN1CCc2cccc3c4c(cc1c23)C=CC(=O)C4=O.
What is the InChIKey of 10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),5,8,13(17),14-hexaene-3,4-dione?
The InChIKey is DZZIOGKZAPZOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,9H,7-8H2,1H3.
What are the key properties of 10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),5,8,13(17),14-hexaene-3,4-dione?
10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),5,8,13(17),14-hexaene-3,4-dione has a molecular weight of 263.30 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),5,8,13(17),14-hexaene-3,4-dione is sourced from PubChem (CID 10015619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).