ethane;methyl (4Z,5E)-4-ethylidene-1-[2-(4-methylpiperazin-1-yl)acetyl]-5-prop-2-enylidenepyrrolidine-2-carboxylate

C20H33N3O3 — CID 142034218

IUPACethane;methyl (4Z,5E)-4-ethylidene-1-[2-(4-methylpiperazin-1-yl)acetyl]-5-prop-2-enylidenepyrrolidine-2-carboxylate
SMILESC=C/C=C1C(=C/C)\CC(C(=O)OC)N\1C(=O)CN1CCN(C)CC1.CC
InChIInChI=1S/C18H27N3O3.C2H6/c1-5-7-15-14(6-2)12-16(18(23)24-4)21(15)17(22)13-20-10-8-19(3)9-11-20;1-2/h5-7,16H,1,8-13H2,2-4H3;1-2H3/b14-6-,15-7+;
InChIKeyXHZDPHKQLOHEOK-WMJBYFQTSA-N
MW363.50 g/mol
LogP2.05
Rot. Bonds4

About ethane;methyl (4Z,5E)-4-ethylidene-1-[2-(4-methylpiperazin-1-yl)acetyl]-5-prop-2-enylidenepyrrolidine-2-carboxylate

ethane;methyl (4Z,5E)-4-ethylidene-1-[2-(4-methylpiperazin-1-yl)acetyl]-5-prop-2-enylidenepyrrolidine-2-carboxylate (PubChem CID 142034218) has the molecular formula C20H33N3O3 and a molecular weight of 363.50 g/mol. Its IUPAC name is ethane;methyl (4Z,5E)-4-ethylidene-1-[2-(4-methylpiperazin-1-yl)acetyl]-5-prop-2-enylidenepyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethane;methyl (4Z,5E)-4-ethylidene-1-[2-(4-methylpiperazin-1-yl)acetyl]-5-prop-2-enylidenepyrrolidine-2-carboxylate
PubChem CID142034218
Molecular FormulaC20H33N3O3
Molecular Weight363.50 g/mol
Exact Mass363.25
IUPAC Nameethane;methyl (4Z,5E)-4-ethylidene-1-[2-(4-methylpiperazin-1-yl)acetyl]-5-prop-2-enylidenepyrrolidine-2-carboxylate
SMILESC=C/C=C1C(=C/C)\CC(C(=O)OC)N\1C(=O)CN1CCN(C)CC1.CC
InChIInChI=1S/C18H27N3O3.C2H6/c1-5-7-15-14(6-2)12-16(18(23)24-4)21(15)17(22)13-20-10-8-19(3)9-11-20;1-2/h5-7,16H,1,8-13H2,2-4H3;1-2H3/b14-6-,15-7+;
InChIKeyXHZDPHKQLOHEOK-WMJBYFQTSA-N
XLogP2.05
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethane;methyl (4Z,5E)-4-ethylidene-1-[2-(4-methylpiperazin-1-yl)acetyl]-5-prop-2-enylidenepyrrolidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;methyl (4Z,5E)-4-ethylidene-1-[2-(4-methylpiperazin-1-yl)acetyl]-5-prop-2-enylidenepyrrolidine-2-carboxylate?
The IUPAC name of ethane;methyl (4Z,5E)-4-ethylidene-1-[2-(4-methylpiperazin-1-yl)acetyl]-5-prop-2-enylidenepyrrolidine-2-carboxylate (CID 142034218) is ethane;methyl (4Z,5E)-4-ethylidene-1-[2-(4-methylpiperazin-1-yl)acetyl]-5-prop-2-enylidenepyrrolidine-2-carboxylate.
What is the SMILES notation for ethane;methyl (4Z,5E)-4-ethylidene-1-[2-(4-methylpiperazin-1-yl)acetyl]-5-prop-2-enylidenepyrrolidine-2-carboxylate?
The canonical SMILES for ethane;methyl (4Z,5E)-4-ethylidene-1-[2-(4-methylpiperazin-1-yl)acetyl]-5-prop-2-enylidenepyrrolidine-2-carboxylate is C=C/C=C1C(=C/C)\CC(C(=O)OC)N\1C(=O)CN1CCN(C)CC1.CC.
What is the InChIKey of ethane;methyl (4Z,5E)-4-ethylidene-1-[2-(4-methylpiperazin-1-yl)acetyl]-5-prop-2-enylidenepyrrolidine-2-carboxylate?
The InChIKey is XHZDPHKQLOHEOK-WMJBYFQTSA-N. The full InChI is InChI=1S/C18H27N3O3.C2H6/c1-5-7-15-14(6-2)12-16(18(23)24-4)21(15)17(22)13-20-10-8-19(3)9-11-20;1-2/h5-7,16H,1,8-13H2,2-4H3;1-2H3/b14-6-,15-7+;.
What are the key properties of ethane;methyl (4Z,5E)-4-ethylidene-1-[2-(4-methylpiperazin-1-yl)acetyl]-5-prop-2-enylidenepyrrolidine-2-carboxylate?
ethane;methyl (4Z,5E)-4-ethylidene-1-[2-(4-methylpiperazin-1-yl)acetyl]-5-prop-2-enylidenepyrrolidine-2-carboxylate has a molecular weight of 363.50 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl (4Z,5E)-4-ethylidene-1-[2-(4-methylpiperazin-1-yl)acetyl]-5-prop-2-enylidenepyrrolidine-2-carboxylate is sourced from PubChem (CID 142034218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).