7,13-dimethyl-7,13-diazapentacyclo[8.5.0.01,4.05,9.011,15]pentadec-2-ene-6,8,12,14-tetrone

C15H14N2O4 — CID 163542742

IUPAC7,13-dimethyl-7,13-diazapentacyclo[8.5.0.01,4.05,9.011,15]pentadec-2-ene-6,8,12,14-tetrone
SMILESCN1C(=O)C2C(C1=O)C1C3C(=O)N(C)C(=O)C3C13C=CC23
InChIInChI=1S/C15H14N2O4/c1-16-11(18)6-5-3-4-15(5)9(7(6)12(16)19)8-10(15)14(21)17(2)13(8)20/h3-10H,1-2H3
InChIKeyFCMRGWNARFWXJC-UHFFFAOYSA-N
MW286.29 g/mol
LogP-0.74
Rot. Bonds

About 7,13-dimethyl-7,13-diazapentacyclo[8.5.0.01,4.05,9.011,15]pentadec-2-ene-6,8,12,14-tetrone

7,13-dimethyl-7,13-diazapentacyclo[8.5.0.01,4.05,9.011,15]pentadec-2-ene-6,8,12,14-tetrone (PubChem CID 163542742) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 7,13-dimethyl-7,13-diazapentacyclo[8.5.0.01,4.05,9.011,15]pentadec-2-ene-6,8,12,14-tetrone.

Molecular Properties

Compound Name7,13-dimethyl-7,13-diazapentacyclo[8.5.0.01,4.05,9.011,15]pentadec-2-ene-6,8,12,14-tetrone
PubChem CID163542742
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name7,13-dimethyl-7,13-diazapentacyclo[8.5.0.01,4.05,9.011,15]pentadec-2-ene-6,8,12,14-tetrone
SMILESCN1C(=O)C2C(C1=O)C1C3C(=O)N(C)C(=O)C3C13C=CC23
InChIInChI=1S/C15H14N2O4/c1-16-11(18)6-5-3-4-15(5)9(7(6)12(16)19)8-10(15)14(21)17(2)13(8)20/h3-10H,1-2H3
InChIKeyFCMRGWNARFWXJC-UHFFFAOYSA-N
XLogP-0.74
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 5-0.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7,13-dimethyl-7,13-diazapentacyclo[8.5.0.01,4.05,9.011,15]pentadec-2-ene-6,8,12,14-tetrone?
The IUPAC name of 7,13-dimethyl-7,13-diazapentacyclo[8.5.0.01,4.05,9.011,15]pentadec-2-ene-6,8,12,14-tetrone (CID 163542742) is 7,13-dimethyl-7,13-diazapentacyclo[8.5.0.01,4.05,9.011,15]pentadec-2-ene-6,8,12,14-tetrone.
What is the SMILES notation for 7,13-dimethyl-7,13-diazapentacyclo[8.5.0.01,4.05,9.011,15]pentadec-2-ene-6,8,12,14-tetrone?
The canonical SMILES for 7,13-dimethyl-7,13-diazapentacyclo[8.5.0.01,4.05,9.011,15]pentadec-2-ene-6,8,12,14-tetrone is CN1C(=O)C2C(C1=O)C1C3C(=O)N(C)C(=O)C3C13C=CC23.
What is the InChIKey of 7,13-dimethyl-7,13-diazapentacyclo[8.5.0.01,4.05,9.011,15]pentadec-2-ene-6,8,12,14-tetrone?
The InChIKey is FCMRGWNARFWXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-16-11(18)6-5-3-4-15(5)9(7(6)12(16)19)8-10(15)14(21)17(2)13(8)20/h3-10H,1-2H3.
What are the key properties of 7,13-dimethyl-7,13-diazapentacyclo[8.5.0.01,4.05,9.011,15]pentadec-2-ene-6,8,12,14-tetrone?
7,13-dimethyl-7,13-diazapentacyclo[8.5.0.01,4.05,9.011,15]pentadec-2-ene-6,8,12,14-tetrone has a molecular weight of 286.29 g/mol, XLogP of -0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,13-dimethyl-7,13-diazapentacyclo[8.5.0.01,4.05,9.011,15]pentadec-2-ene-6,8,12,14-tetrone is sourced from PubChem (CID 163542742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).