9-prop-2-enyl-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione

C18H12N2O2 — CID 53473938

IUPAC9-prop-2-enyl-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione
SMILESC=CCn1c2c(c3ccccc3c1=O)C(=O)c1cccnc1-2
InChIInChI=1S/C18H12N2O2/c1-2-10-20-16-14(11-6-3-4-7-12(11)18(20)22)17(21)13-8-5-9-19-15(13)16/h2-9H,1,10H2
InChIKeyNWYMFLGOZJEEJP-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.79
Rot. Bonds2

About 9-prop-2-enyl-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione

9-prop-2-enyl-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione (PubChem CID 53473938) has the molecular formula C18H12N2O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 9-prop-2-enyl-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione.

Molecular Properties

Compound Name9-prop-2-enyl-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione
PubChem CID53473938
Molecular FormulaC18H12N2O2
Molecular Weight288.31 g/mol
Exact Mass288.09
IUPAC Name9-prop-2-enyl-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione
SMILESC=CCn1c2c(c3ccccc3c1=O)C(=O)c1cccnc1-2
InChIInChI=1S/C18H12N2O2/c1-2-10-20-16-14(11-6-3-4-7-12(11)18(20)22)17(21)13-8-5-9-19-15(13)16/h2-9H,1,10H2
InChIKeyNWYMFLGOZJEEJP-UHFFFAOYSA-N
XLogP2.79
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9-prop-2-enyl-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-prop-2-enyl-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione?
The IUPAC name of 9-prop-2-enyl-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione (CID 53473938) is 9-prop-2-enyl-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione.
What is the SMILES notation for 9-prop-2-enyl-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione?
The canonical SMILES for 9-prop-2-enyl-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione is C=CCn1c2c(c3ccccc3c1=O)C(=O)c1cccnc1-2.
What is the InChIKey of 9-prop-2-enyl-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione?
The InChIKey is NWYMFLGOZJEEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2/c1-2-10-20-16-14(11-6-3-4-7-12(11)18(20)22)17(21)13-8-5-9-19-15(13)16/h2-9H,1,10H2.
What are the key properties of 9-prop-2-enyl-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione?
9-prop-2-enyl-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione has a molecular weight of 288.31 g/mol, XLogP of 2.79, 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-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione is sourced from PubChem (CID 53473938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).