12-methyl-5-propyl-5,12-diazatricyclo[8.3.0.03,7]trideca-1(10),2,7-triene-4,6,11,13-tetrone

C15H14N2O4 — CID 143240345

IUPAC12-methyl-5-propyl-5,12-diazatricyclo[8.3.0.03,7]trideca-1(10),2,7-triene-4,6,11,13-tetrone
SMILESCCCN1C(=O)C2=CCC3=C(C=C2C1=O)C(=O)N(C)C3=O
InChIInChI=1S/C15H14N2O4/c1-3-6-17-14(20)9-5-4-8-10(7-11(9)15(17)21)13(19)16(2)12(8)18/h5,7H,3-4,6H2,1-2H3
InChIKeyZWDCRVZJNQIXFV-UHFFFAOYSA-N
MW286.29 g/mol
LogP0.32
Rot. Bonds2

About 12-methyl-5-propyl-5,12-diazatricyclo[8.3.0.03,7]trideca-1(10),2,7-triene-4,6,11,13-tetrone

12-methyl-5-propyl-5,12-diazatricyclo[8.3.0.03,7]trideca-1(10),2,7-triene-4,6,11,13-tetrone (PubChem CID 143240345) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 12-methyl-5-propyl-5,12-diazatricyclo[8.3.0.03,7]trideca-1(10),2,7-triene-4,6,11,13-tetrone.

Molecular Properties

Compound Name12-methyl-5-propyl-5,12-diazatricyclo[8.3.0.03,7]trideca-1(10),2,7-triene-4,6,11,13-tetrone
PubChem CID143240345
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name12-methyl-5-propyl-5,12-diazatricyclo[8.3.0.03,7]trideca-1(10),2,7-triene-4,6,11,13-tetrone
SMILESCCCN1C(=O)C2=CCC3=C(C=C2C1=O)C(=O)N(C)C3=O
InChIInChI=1S/C15H14N2O4/c1-3-6-17-14(20)9-5-4-8-10(7-11(9)15(17)21)13(19)16(2)12(8)18/h5,7H,3-4,6H2,1-2H3
InChIKeyZWDCRVZJNQIXFV-UHFFFAOYSA-N
XLogP0.32
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 12-methyl-5-propyl-5,12-diazatricyclo[8.3.0.03,7]trideca-1(10),2,7-triene-4,6,11,13-tetrone?
The IUPAC name of 12-methyl-5-propyl-5,12-diazatricyclo[8.3.0.03,7]trideca-1(10),2,7-triene-4,6,11,13-tetrone (CID 143240345) is 12-methyl-5-propyl-5,12-diazatricyclo[8.3.0.03,7]trideca-1(10),2,7-triene-4,6,11,13-tetrone.
What is the SMILES notation for 12-methyl-5-propyl-5,12-diazatricyclo[8.3.0.03,7]trideca-1(10),2,7-triene-4,6,11,13-tetrone?
The canonical SMILES for 12-methyl-5-propyl-5,12-diazatricyclo[8.3.0.03,7]trideca-1(10),2,7-triene-4,6,11,13-tetrone is CCCN1C(=O)C2=CCC3=C(C=C2C1=O)C(=O)N(C)C3=O.
What is the InChIKey of 12-methyl-5-propyl-5,12-diazatricyclo[8.3.0.03,7]trideca-1(10),2,7-triene-4,6,11,13-tetrone?
The InChIKey is ZWDCRVZJNQIXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-3-6-17-14(20)9-5-4-8-10(7-11(9)15(17)21)13(19)16(2)12(8)18/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 12-methyl-5-propyl-5,12-diazatricyclo[8.3.0.03,7]trideca-1(10),2,7-triene-4,6,11,13-tetrone?
12-methyl-5-propyl-5,12-diazatricyclo[8.3.0.03,7]trideca-1(10),2,7-triene-4,6,11,13-tetrone has a molecular weight of 286.29 g/mol, XLogP of 0.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methyl-5-propyl-5,12-diazatricyclo[8.3.0.03,7]trideca-1(10),2,7-triene-4,6,11,13-tetrone is sourced from PubChem (CID 143240345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).