15-methyl-13,15,17-triazaheptacyclo[8.7.0.02,7.02,9.07,12.08,11.013,17]heptadec-4-ene-14,16-dione

C15H15N3O2 — CID 90482488

IUPAC15-methyl-13,15,17-triazaheptacyclo[8.7.0.02,7.02,9.07,12.08,11.013,17]heptadec-4-ene-14,16-dione
SMILESCn1c(=O)n2n(c1=O)C1C3C4C5C3C13CC=CCC53C42
InChIInChI=1S/C15H15N3O2/c1-16-12(19)17-10-6-7-9-8(6)14(10)4-2-3-5-15(9,14)11(7)18(17)13(16)20/h2-3,6-11H,4-5H2,1H3
InChIKeyQHLGHZYVJAXKCF-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.29
Rot. Bonds

About 15-methyl-13,15,17-triazaheptacyclo[8.7.0.02,7.02,9.07,12.08,11.013,17]heptadec-4-ene-14,16-dione

15-methyl-13,15,17-triazaheptacyclo[8.7.0.02,7.02,9.07,12.08,11.013,17]heptadec-4-ene-14,16-dione (PubChem CID 90482488) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 15-methyl-13,15,17-triazaheptacyclo[8.7.0.02,7.02,9.07,12.08,11.013,17]heptadec-4-ene-14,16-dione.

Molecular Properties

Compound Name15-methyl-13,15,17-triazaheptacyclo[8.7.0.02,7.02,9.07,12.08,11.013,17]heptadec-4-ene-14,16-dione
PubChem CID90482488
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name15-methyl-13,15,17-triazaheptacyclo[8.7.0.02,7.02,9.07,12.08,11.013,17]heptadec-4-ene-14,16-dione
SMILESCn1c(=O)n2n(c1=O)C1C3C4C5C3C13CC=CCC53C42
InChIInChI=1S/C15H15N3O2/c1-16-12(19)17-10-6-7-9-8(6)14(10)4-2-3-5-15(9,14)11(7)18(17)13(16)20/h2-3,6-11H,4-5H2,1H3
InChIKeyQHLGHZYVJAXKCF-UHFFFAOYSA-N
XLogP0.29
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 15-methyl-13,15,17-triazaheptacyclo[8.7.0.02,7.02,9.07,12.08,11.013,17]heptadec-4-ene-14,16-dione?
The IUPAC name of 15-methyl-13,15,17-triazaheptacyclo[8.7.0.02,7.02,9.07,12.08,11.013,17]heptadec-4-ene-14,16-dione (CID 90482488) is 15-methyl-13,15,17-triazaheptacyclo[8.7.0.02,7.02,9.07,12.08,11.013,17]heptadec-4-ene-14,16-dione.
What is the SMILES notation for 15-methyl-13,15,17-triazaheptacyclo[8.7.0.02,7.02,9.07,12.08,11.013,17]heptadec-4-ene-14,16-dione?
The canonical SMILES for 15-methyl-13,15,17-triazaheptacyclo[8.7.0.02,7.02,9.07,12.08,11.013,17]heptadec-4-ene-14,16-dione is Cn1c(=O)n2n(c1=O)C1C3C4C5C3C13CC=CCC53C42.
What is the InChIKey of 15-methyl-13,15,17-triazaheptacyclo[8.7.0.02,7.02,9.07,12.08,11.013,17]heptadec-4-ene-14,16-dione?
The InChIKey is QHLGHZYVJAXKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-16-12(19)17-10-6-7-9-8(6)14(10)4-2-3-5-15(9,14)11(7)18(17)13(16)20/h2-3,6-11H,4-5H2,1H3.
What are the key properties of 15-methyl-13,15,17-triazaheptacyclo[8.7.0.02,7.02,9.07,12.08,11.013,17]heptadec-4-ene-14,16-dione?
15-methyl-13,15,17-triazaheptacyclo[8.7.0.02,7.02,9.07,12.08,11.013,17]heptadec-4-ene-14,16-dione has a molecular weight of 269.30 g/mol, XLogP of 0.29, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methyl-13,15,17-triazaheptacyclo[8.7.0.02,7.02,9.07,12.08,11.013,17]heptadec-4-ene-14,16-dione is sourced from PubChem (CID 90482488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).