9-prop-2-enyl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3,5,7,11,13-hexaene-2,16-dione

C17H12N2O2 — CID 155472259

IUPAC9-prop-2-enyl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3,5,7,11,13-hexaene-2,16-dione
SMILESC=CCn1c2c(c(=O)c3ccccc31)C(=O)n1cccc1-2
InChIInChI=1S/C17H12N2O2/c1-2-9-18-12-7-4-3-6-11(12)16(20)14-15(18)13-8-5-10-19(13)17(14)21/h2-8,10H,1,9H2
InChIKeyXOWYCRGJAHKXRE-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.66
Rot. Bonds2

About 9-prop-2-enyl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3,5,7,11,13-hexaene-2,16-dione

9-prop-2-enyl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3,5,7,11,13-hexaene-2,16-dione (PubChem CID 155472259) has the molecular formula C17H12N2O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 9-prop-2-enyl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3,5,7,11,13-hexaene-2,16-dione.

Molecular Properties

Compound Name9-prop-2-enyl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3,5,7,11,13-hexaene-2,16-dione
PubChem CID155472259
Molecular FormulaC17H12N2O2
Molecular Weight276.30 g/mol
Exact Mass276.09
IUPAC Name9-prop-2-enyl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3,5,7,11,13-hexaene-2,16-dione
SMILESC=CCn1c2c(c(=O)c3ccccc31)C(=O)n1cccc1-2
InChIInChI=1S/C17H12N2O2/c1-2-9-18-12-7-4-3-6-11(12)16(20)14-15(18)13-8-5-10-19(13)17(14)21/h2-8,10H,1,9H2
InChIKeyXOWYCRGJAHKXRE-UHFFFAOYSA-N
XLogP2.66
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 9-prop-2-enyl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3,5,7,11,13-hexaene-2,16-dione?
The IUPAC name of 9-prop-2-enyl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3,5,7,11,13-hexaene-2,16-dione (CID 155472259) is 9-prop-2-enyl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3,5,7,11,13-hexaene-2,16-dione.
What is the SMILES notation for 9-prop-2-enyl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3,5,7,11,13-hexaene-2,16-dione?
The canonical SMILES for 9-prop-2-enyl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3,5,7,11,13-hexaene-2,16-dione is C=CCn1c2c(c(=O)c3ccccc31)C(=O)n1cccc1-2.
What is the InChIKey of 9-prop-2-enyl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3,5,7,11,13-hexaene-2,16-dione?
The InChIKey is XOWYCRGJAHKXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2/c1-2-9-18-12-7-4-3-6-11(12)16(20)14-15(18)13-8-5-10-19(13)17(14)21/h2-8,10H,1,9H2.
What are the key properties of 9-prop-2-enyl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3,5,7,11,13-hexaene-2,16-dione?
9-prop-2-enyl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3,5,7,11,13-hexaene-2,16-dione has a molecular weight of 276.30 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-prop-2-enyl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3,5,7,11,13-hexaene-2,16-dione is sourced from PubChem (CID 155472259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).