6-(1-phenylprop-1-enyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one

C24H23NO2 — CID 72529510

IUPAC6-(1-phenylprop-1-enyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one
SMILESCC=C(c1ccccc1)c1cc(=O)oc2c3c4c(cc12)CCCN4CCC3
InChIInChI=1S/C24H23NO2/c1-2-18(16-8-4-3-5-9-16)20-15-22(26)27-24-19-11-7-13-25-12-6-10-17(23(19)25)14-21(20)24/h2-5,8-9,14-15H,6-7,10-13H2,1H3
InChIKeyDOICUJYGDNPTHW-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.94
Rot. Bonds2

About 6-(1-phenylprop-1-enyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one

6-(1-phenylprop-1-enyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one (PubChem CID 72529510) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is 6-(1-phenylprop-1-enyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one.

Molecular Properties

Compound Name6-(1-phenylprop-1-enyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one
PubChem CID72529510
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Name6-(1-phenylprop-1-enyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one
SMILESCC=C(c1ccccc1)c1cc(=O)oc2c3c4c(cc12)CCCN4CCC3
InChIInChI=1S/C24H23NO2/c1-2-18(16-8-4-3-5-9-16)20-15-22(26)27-24-19-11-7-13-25-12-6-10-17(23(19)25)14-21(20)24/h2-5,8-9,14-15H,6-7,10-13H2,1H3
InChIKeyDOICUJYGDNPTHW-UHFFFAOYSA-N
XLogP4.94
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(1-phenylprop-1-enyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(1-phenylprop-1-enyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one?
The IUPAC name of 6-(1-phenylprop-1-enyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one (CID 72529510) is 6-(1-phenylprop-1-enyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one.
What is the SMILES notation for 6-(1-phenylprop-1-enyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one?
The canonical SMILES for 6-(1-phenylprop-1-enyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one is CC=C(c1ccccc1)c1cc(=O)oc2c3c4c(cc12)CCCN4CCC3.
What is the InChIKey of 6-(1-phenylprop-1-enyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one?
The InChIKey is DOICUJYGDNPTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2/c1-2-18(16-8-4-3-5-9-16)20-15-22(26)27-24-19-11-7-13-25-12-6-10-17(23(19)25)14-21(20)24/h2-5,8-9,14-15H,6-7,10-13H2,1H3.
What are the key properties of 6-(1-phenylprop-1-enyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one?
6-(1-phenylprop-1-enyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one has a molecular weight of 357.45 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-phenylprop-1-enyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one is sourced from PubChem (CID 72529510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).