16-prop-2-enyl-10-oxa-16-azatetracyclo[9.7.0.03,8.013,17]octadeca-1(11),3,5,7,12,17-hexaene-2,15-dione

C19H15NO3 — CID 70434519

IUPAC16-prop-2-enyl-10-oxa-16-azatetracyclo[9.7.0.03,8.013,17]octadeca-1(11),3,5,7,12,17-hexaene-2,15-dione
SMILESC=CCN1C(=O)Cc2cc3c(cc21)C(=O)c1ccccc1CO3
InChIInChI=1S/C19H15NO3/c1-2-7-20-16-10-15-17(8-13(16)9-18(20)21)23-11-12-5-3-4-6-14(12)19(15)22/h2-6,8,10H,1,7,9,11H2
InChIKeyJFZLOHGDYKJMEK-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.89
Rot. Bonds2

About 16-prop-2-enyl-10-oxa-16-azatetracyclo[9.7.0.03,8.013,17]octadeca-1(11),3,5,7,12,17-hexaene-2,15-dione

16-prop-2-enyl-10-oxa-16-azatetracyclo[9.7.0.03,8.013,17]octadeca-1(11),3,5,7,12,17-hexaene-2,15-dione (PubChem CID 70434519) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is 16-prop-2-enyl-10-oxa-16-azatetracyclo[9.7.0.03,8.013,17]octadeca-1(11),3,5,7,12,17-hexaene-2,15-dione.

Molecular Properties

Compound Name16-prop-2-enyl-10-oxa-16-azatetracyclo[9.7.0.03,8.013,17]octadeca-1(11),3,5,7,12,17-hexaene-2,15-dione
PubChem CID70434519
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name16-prop-2-enyl-10-oxa-16-azatetracyclo[9.7.0.03,8.013,17]octadeca-1(11),3,5,7,12,17-hexaene-2,15-dione
SMILESC=CCN1C(=O)Cc2cc3c(cc21)C(=O)c1ccccc1CO3
InChIInChI=1S/C19H15NO3/c1-2-7-20-16-10-15-17(8-13(16)9-18(20)21)23-11-12-5-3-4-6-14(12)19(15)22/h2-6,8,10H,1,7,9,11H2
InChIKeyJFZLOHGDYKJMEK-UHFFFAOYSA-N
XLogP2.89
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 16-prop-2-enyl-10-oxa-16-azatetracyclo[9.7.0.03,8.013,17]octadeca-1(11),3,5,7,12,17-hexaene-2,15-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 16-prop-2-enyl-10-oxa-16-azatetracyclo[9.7.0.03,8.013,17]octadeca-1(11),3,5,7,12,17-hexaene-2,15-dione?
The IUPAC name of 16-prop-2-enyl-10-oxa-16-azatetracyclo[9.7.0.03,8.013,17]octadeca-1(11),3,5,7,12,17-hexaene-2,15-dione (CID 70434519) is 16-prop-2-enyl-10-oxa-16-azatetracyclo[9.7.0.03,8.013,17]octadeca-1(11),3,5,7,12,17-hexaene-2,15-dione.
What is the SMILES notation for 16-prop-2-enyl-10-oxa-16-azatetracyclo[9.7.0.03,8.013,17]octadeca-1(11),3,5,7,12,17-hexaene-2,15-dione?
The canonical SMILES for 16-prop-2-enyl-10-oxa-16-azatetracyclo[9.7.0.03,8.013,17]octadeca-1(11),3,5,7,12,17-hexaene-2,15-dione is C=CCN1C(=O)Cc2cc3c(cc21)C(=O)c1ccccc1CO3.
What is the InChIKey of 16-prop-2-enyl-10-oxa-16-azatetracyclo[9.7.0.03,8.013,17]octadeca-1(11),3,5,7,12,17-hexaene-2,15-dione?
The InChIKey is JFZLOHGDYKJMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c1-2-7-20-16-10-15-17(8-13(16)9-18(20)21)23-11-12-5-3-4-6-14(12)19(15)22/h2-6,8,10H,1,7,9,11H2.
What are the key properties of 16-prop-2-enyl-10-oxa-16-azatetracyclo[9.7.0.03,8.013,17]octadeca-1(11),3,5,7,12,17-hexaene-2,15-dione?
16-prop-2-enyl-10-oxa-16-azatetracyclo[9.7.0.03,8.013,17]octadeca-1(11),3,5,7,12,17-hexaene-2,15-dione has a molecular weight of 305.33 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16-prop-2-enyl-10-oxa-16-azatetracyclo[9.7.0.03,8.013,17]octadeca-1(11),3,5,7,12,17-hexaene-2,15-dione is sourced from PubChem (CID 70434519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).