(2E,3Z)-2-ethylidene-3-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enylidene]pyrrolidine

C15H24BNO2 — CID 176558998

IUPAC(2E,3Z)-2-ethylidene-3-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enylidene]pyrrolidine
SMILESC=C/C(B1OC(C)(C)C(C)(C)O1)=C1/CCN/C1=C/C
InChIInChI=1S/C15H24BNO2/c1-7-12(11-9-10-17-13(11)8-2)16-18-14(3,4)15(5,6)19-16/h7-8,17H,1,9-10H2,2-6H3/b12-11+,13-8+
InChIKeyAVRYWOIMJSCJFN-FYXALXGLSA-N
MW261.17 g/mol
LogP3.00
Rot. Bonds2

About (2E,3Z)-2-ethylidene-3-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enylidene]pyrrolidine

(2E,3Z)-2-ethylidene-3-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enylidene]pyrrolidine (PubChem CID 176558998) has the molecular formula C15H24BNO2 and a molecular weight of 261.17 g/mol. Its IUPAC name is (2E,3Z)-2-ethylidene-3-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enylidene]pyrrolidine.

Molecular Properties

Compound Name(2E,3Z)-2-ethylidene-3-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enylidene]pyrrolidine
PubChem CID176558998
Molecular FormulaC15H24BNO2
Molecular Weight261.17 g/mol
Exact Mass261.19
IUPAC Name(2E,3Z)-2-ethylidene-3-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enylidene]pyrrolidine
SMILESC=C/C(B1OC(C)(C)C(C)(C)O1)=C1/CCN/C1=C/C
InChIInChI=1S/C15H24BNO2/c1-7-12(11-9-10-17-13(11)8-2)16-18-14(3,4)15(5,6)19-16/h7-8,17H,1,9-10H2,2-6H3/b12-11+,13-8+
InChIKeyAVRYWOIMJSCJFN-FYXALXGLSA-N
XLogP3.00
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.17
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-2-ethylidene-3-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enylidene]pyrrolidine?
The IUPAC name of (2E,3Z)-2-ethylidene-3-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enylidene]pyrrolidine (CID 176558998) is (2E,3Z)-2-ethylidene-3-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enylidene]pyrrolidine.
What is the SMILES notation for (2E,3Z)-2-ethylidene-3-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enylidene]pyrrolidine?
The canonical SMILES for (2E,3Z)-2-ethylidene-3-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enylidene]pyrrolidine is C=C/C(B1OC(C)(C)C(C)(C)O1)=C1/CCN/C1=C/C.
What is the InChIKey of (2E,3Z)-2-ethylidene-3-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enylidene]pyrrolidine?
The InChIKey is AVRYWOIMJSCJFN-FYXALXGLSA-N. The full InChI is InChI=1S/C15H24BNO2/c1-7-12(11-9-10-17-13(11)8-2)16-18-14(3,4)15(5,6)19-16/h7-8,17H,1,9-10H2,2-6H3/b12-11+,13-8+.
What are the key properties of (2E,3Z)-2-ethylidene-3-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enylidene]pyrrolidine?
(2E,3Z)-2-ethylidene-3-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enylidene]pyrrolidine has a molecular weight of 261.17 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-2-ethylidene-3-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enylidene]pyrrolidine is sourced from PubChem (CID 176558998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).