13-acetyl-5-methyl-1,13-diazatricyclo[10.3.1.02,7]hexadeca-2(7),3,5-triene-8,16-dione

C17H20N2O3 — CID 2829066

IUPAC13-acetyl-5-methyl-1,13-diazatricyclo[10.3.1.02,7]hexadeca-2(7),3,5-triene-8,16-dione
SMILESCC(=O)N1CCN2C(=O)C1CCCC(=O)c1cc(C)ccc12
InChIInChI=1S/C17H20N2O3/c1-11-6-7-14-13(10-11)16(21)5-3-4-15-17(22)19(14)9-8-18(15)12(2)20/h6-7,10,15H,3-5,8-9H2,1-2H3
InChIKeyLFAMVUGDMRDVJU-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.93
Rot. Bonds

About 13-acetyl-5-methyl-1,13-diazatricyclo[10.3.1.02,7]hexadeca-2(7),3,5-triene-8,16-dione

13-acetyl-5-methyl-1,13-diazatricyclo[10.3.1.02,7]hexadeca-2(7),3,5-triene-8,16-dione (PubChem CID 2829066) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 13-acetyl-5-methyl-1,13-diazatricyclo[10.3.1.02,7]hexadeca-2(7),3,5-triene-8,16-dione.

Molecular Properties

Compound Name13-acetyl-5-methyl-1,13-diazatricyclo[10.3.1.02,7]hexadeca-2(7),3,5-triene-8,16-dione
PubChem CID2829066
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name13-acetyl-5-methyl-1,13-diazatricyclo[10.3.1.02,7]hexadeca-2(7),3,5-triene-8,16-dione
SMILESCC(=O)N1CCN2C(=O)C1CCCC(=O)c1cc(C)ccc12
InChIInChI=1S/C17H20N2O3/c1-11-6-7-14-13(10-11)16(21)5-3-4-15-17(22)19(14)9-8-18(15)12(2)20/h6-7,10,15H,3-5,8-9H2,1-2H3
InChIKeyLFAMVUGDMRDVJU-UHFFFAOYSA-N
XLogP1.93
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 13-acetyl-5-methyl-1,13-diazatricyclo[10.3.1.02,7]hexadeca-2(7),3,5-triene-8,16-dione?
The IUPAC name of 13-acetyl-5-methyl-1,13-diazatricyclo[10.3.1.02,7]hexadeca-2(7),3,5-triene-8,16-dione (CID 2829066) is 13-acetyl-5-methyl-1,13-diazatricyclo[10.3.1.02,7]hexadeca-2(7),3,5-triene-8,16-dione.
What is the SMILES notation for 13-acetyl-5-methyl-1,13-diazatricyclo[10.3.1.02,7]hexadeca-2(7),3,5-triene-8,16-dione?
The canonical SMILES for 13-acetyl-5-methyl-1,13-diazatricyclo[10.3.1.02,7]hexadeca-2(7),3,5-triene-8,16-dione is CC(=O)N1CCN2C(=O)C1CCCC(=O)c1cc(C)ccc12.
What is the InChIKey of 13-acetyl-5-methyl-1,13-diazatricyclo[10.3.1.02,7]hexadeca-2(7),3,5-triene-8,16-dione?
The InChIKey is LFAMVUGDMRDVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-11-6-7-14-13(10-11)16(21)5-3-4-15-17(22)19(14)9-8-18(15)12(2)20/h6-7,10,15H,3-5,8-9H2,1-2H3.
What are the key properties of 13-acetyl-5-methyl-1,13-diazatricyclo[10.3.1.02,7]hexadeca-2(7),3,5-triene-8,16-dione?
13-acetyl-5-methyl-1,13-diazatricyclo[10.3.1.02,7]hexadeca-2(7),3,5-triene-8,16-dione has a molecular weight of 300.36 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-acetyl-5-methyl-1,13-diazatricyclo[10.3.1.02,7]hexadeca-2(7),3,5-triene-8,16-dione is sourced from PubChem (CID 2829066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).