11-ethyl-2-piperazin-1-yl-3-prop-1-en-2-yl-4-prop-2-enylidene-3-azabicyclo[6.5.0]trideca-1,6,7-triene

C24H35N3 — CID 91585357

IUPAC11-ethyl-2-piperazin-1-yl-3-prop-1-en-2-yl-4-prop-2-enylidene-3-azabicyclo[6.5.0]trideca-1,6,7-triene
SMILESC=CC=C1CC=C=C2CCC(CC)CCC2=C(N2CCNCC2)N1C(=C)C
InChIInChI=1S/C24H35N3/c1-5-8-22-10-7-9-21-13-11-20(6-2)12-14-23(21)24(27(22)19(3)4)26-17-15-25-16-18-26/h5,7-8,20,25H,1,3,6,10-18H2,2,4H3
InChIKeyWENNYKTUTRHETR-UHFFFAOYSA-N
MW365.57 g/mol
LogP5.09
Rot. Bonds4

About 11-ethyl-2-piperazin-1-yl-3-prop-1-en-2-yl-4-prop-2-enylidene-3-azabicyclo[6.5.0]trideca-1,6,7-triene

11-ethyl-2-piperazin-1-yl-3-prop-1-en-2-yl-4-prop-2-enylidene-3-azabicyclo[6.5.0]trideca-1,6,7-triene (PubChem CID 91585357) has the molecular formula C24H35N3 and a molecular weight of 365.57 g/mol. Its IUPAC name is 11-ethyl-2-piperazin-1-yl-3-prop-1-en-2-yl-4-prop-2-enylidene-3-azabicyclo[6.5.0]trideca-1,6,7-triene.

Molecular Properties

Compound Name11-ethyl-2-piperazin-1-yl-3-prop-1-en-2-yl-4-prop-2-enylidene-3-azabicyclo[6.5.0]trideca-1,6,7-triene
PubChem CID91585357
Molecular FormulaC24H35N3
Molecular Weight365.57 g/mol
Exact Mass365.28
IUPAC Name11-ethyl-2-piperazin-1-yl-3-prop-1-en-2-yl-4-prop-2-enylidene-3-azabicyclo[6.5.0]trideca-1,6,7-triene
SMILESC=CC=C1CC=C=C2CCC(CC)CCC2=C(N2CCNCC2)N1C(=C)C
InChIInChI=1S/C24H35N3/c1-5-8-22-10-7-9-21-13-11-20(6-2)12-14-23(21)24(27(22)19(3)4)26-17-15-25-16-18-26/h5,7-8,20,25H,1,3,6,10-18H2,2,4H3
InChIKeyWENNYKTUTRHETR-UHFFFAOYSA-N
XLogP5.09
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.57
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 11-ethyl-2-piperazin-1-yl-3-prop-1-en-2-yl-4-prop-2-enylidene-3-azabicyclo[6.5.0]trideca-1,6,7-triene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-ethyl-2-piperazin-1-yl-3-prop-1-en-2-yl-4-prop-2-enylidene-3-azabicyclo[6.5.0]trideca-1,6,7-triene?
The IUPAC name of 11-ethyl-2-piperazin-1-yl-3-prop-1-en-2-yl-4-prop-2-enylidene-3-azabicyclo[6.5.0]trideca-1,6,7-triene (CID 91585357) is 11-ethyl-2-piperazin-1-yl-3-prop-1-en-2-yl-4-prop-2-enylidene-3-azabicyclo[6.5.0]trideca-1,6,7-triene.
What is the SMILES notation for 11-ethyl-2-piperazin-1-yl-3-prop-1-en-2-yl-4-prop-2-enylidene-3-azabicyclo[6.5.0]trideca-1,6,7-triene?
The canonical SMILES for 11-ethyl-2-piperazin-1-yl-3-prop-1-en-2-yl-4-prop-2-enylidene-3-azabicyclo[6.5.0]trideca-1,6,7-triene is C=CC=C1CC=C=C2CCC(CC)CCC2=C(N2CCNCC2)N1C(=C)C.
What is the InChIKey of 11-ethyl-2-piperazin-1-yl-3-prop-1-en-2-yl-4-prop-2-enylidene-3-azabicyclo[6.5.0]trideca-1,6,7-triene?
The InChIKey is WENNYKTUTRHETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3/c1-5-8-22-10-7-9-21-13-11-20(6-2)12-14-23(21)24(27(22)19(3)4)26-17-15-25-16-18-26/h5,7-8,20,25H,1,3,6,10-18H2,2,4H3.
What are the key properties of 11-ethyl-2-piperazin-1-yl-3-prop-1-en-2-yl-4-prop-2-enylidene-3-azabicyclo[6.5.0]trideca-1,6,7-triene?
11-ethyl-2-piperazin-1-yl-3-prop-1-en-2-yl-4-prop-2-enylidene-3-azabicyclo[6.5.0]trideca-1,6,7-triene has a molecular weight of 365.57 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-ethyl-2-piperazin-1-yl-3-prop-1-en-2-yl-4-prop-2-enylidene-3-azabicyclo[6.5.0]trideca-1,6,7-triene is sourced from PubChem (CID 91585357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).