(13E,14Z)-7-ethenoxy-13-ethylidene-14-prop-2-enylidene-5-oxa-1,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-9,11,15-triene-2,6-dione

C21H20N2O4 — CID 144532465

IUPAC(13E,14Z)-7-ethenoxy-13-ethylidene-14-prop-2-enylidene-5-oxa-1,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-9,11,15-triene-2,6-dione
SMILESC=C/C=c1/cc2c(n/c1=C/C)C1=CC3C(COC(=O)C3OC=C)C(=O)N1C2
InChIInChI=1S/C21H20N2O4/c1-4-7-12-8-13-10-23-17(18(13)22-16(12)5-2)9-14-15(20(23)24)11-27-21(25)19(14)26-6-3/h4-9,14-15,19H,1,3,10-11H2,2H3/b12-7-,16-5+
InChIKeyOLBRUZLLDRCVNO-UJOHJOKBSA-N
MW364.40 g/mol
LogP0.86
Rot. Bonds3

About (13E,14Z)-7-ethenoxy-13-ethylidene-14-prop-2-enylidene-5-oxa-1,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-9,11,15-triene-2,6-dione

(13E,14Z)-7-ethenoxy-13-ethylidene-14-prop-2-enylidene-5-oxa-1,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-9,11,15-triene-2,6-dione (PubChem CID 144532465) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is (13E,14Z)-7-ethenoxy-13-ethylidene-14-prop-2-enylidene-5-oxa-1,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-9,11,15-triene-2,6-dione.

Molecular Properties

Compound Name(13E,14Z)-7-ethenoxy-13-ethylidene-14-prop-2-enylidene-5-oxa-1,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-9,11,15-triene-2,6-dione
PubChem CID144532465
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name(13E,14Z)-7-ethenoxy-13-ethylidene-14-prop-2-enylidene-5-oxa-1,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-9,11,15-triene-2,6-dione
SMILESC=C/C=c1/cc2c(n/c1=C/C)C1=CC3C(COC(=O)C3OC=C)C(=O)N1C2
InChIInChI=1S/C21H20N2O4/c1-4-7-12-8-13-10-23-17(18(13)22-16(12)5-2)9-14-15(20(23)24)11-27-21(25)19(14)26-6-3/h4-9,14-15,19H,1,3,10-11H2,2H3/b12-7-,16-5+
InChIKeyOLBRUZLLDRCVNO-UJOHJOKBSA-N
XLogP0.86
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (13E,14Z)-7-ethenoxy-13-ethylidene-14-prop-2-enylidene-5-oxa-1,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-9,11,15-triene-2,6-dione?
The IUPAC name of (13E,14Z)-7-ethenoxy-13-ethylidene-14-prop-2-enylidene-5-oxa-1,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-9,11,15-triene-2,6-dione (CID 144532465) is (13E,14Z)-7-ethenoxy-13-ethylidene-14-prop-2-enylidene-5-oxa-1,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-9,11,15-triene-2,6-dione.
What is the SMILES notation for (13E,14Z)-7-ethenoxy-13-ethylidene-14-prop-2-enylidene-5-oxa-1,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-9,11,15-triene-2,6-dione?
The canonical SMILES for (13E,14Z)-7-ethenoxy-13-ethylidene-14-prop-2-enylidene-5-oxa-1,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-9,11,15-triene-2,6-dione is C=C/C=c1/cc2c(n/c1=C/C)C1=CC3C(COC(=O)C3OC=C)C(=O)N1C2.
What is the InChIKey of (13E,14Z)-7-ethenoxy-13-ethylidene-14-prop-2-enylidene-5-oxa-1,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-9,11,15-triene-2,6-dione?
The InChIKey is OLBRUZLLDRCVNO-UJOHJOKBSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-4-7-12-8-13-10-23-17(18(13)22-16(12)5-2)9-14-15(20(23)24)11-27-21(25)19(14)26-6-3/h4-9,14-15,19H,1,3,10-11H2,2H3/b12-7-,16-5+.
What are the key properties of (13E,14Z)-7-ethenoxy-13-ethylidene-14-prop-2-enylidene-5-oxa-1,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-9,11,15-triene-2,6-dione?
(13E,14Z)-7-ethenoxy-13-ethylidene-14-prop-2-enylidene-5-oxa-1,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-9,11,15-triene-2,6-dione has a molecular weight of 364.40 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (13E,14Z)-7-ethenoxy-13-ethylidene-14-prop-2-enylidene-5-oxa-1,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-9,11,15-triene-2,6-dione is sourced from PubChem (CID 144532465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).