ethane;methyl (4Z,5E)-5-prop-2-enylidene-4-propylidenepyrrolidine-2-carboxylate

C14H23NO2 — CID 142034216

IUPACethane;methyl (4Z,5E)-5-prop-2-enylidene-4-propylidenepyrrolidine-2-carboxylate
SMILESC=C/C=C1/NC(C(=O)OC)C/C1=C/CC.CC
InChIInChI=1S/C12H17NO2.C2H6/c1-4-6-9-8-11(12(14)15-3)13-10(9)7-5-2;1-2/h5-7,11,13H,2,4,8H2,1,3H3;1-2H3/b9-6-,10-7+;
InChIKeyHQYYNQGBVYYTRY-RLMXOYLTSA-N
MW237.34 g/mol
LogP2.95
Rot. Bonds3

About ethane;methyl (4Z,5E)-5-prop-2-enylidene-4-propylidenepyrrolidine-2-carboxylate

ethane;methyl (4Z,5E)-5-prop-2-enylidene-4-propylidenepyrrolidine-2-carboxylate (PubChem CID 142034216) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is ethane;methyl (4Z,5E)-5-prop-2-enylidene-4-propylidenepyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethane;methyl (4Z,5E)-5-prop-2-enylidene-4-propylidenepyrrolidine-2-carboxylate
PubChem CID142034216
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Nameethane;methyl (4Z,5E)-5-prop-2-enylidene-4-propylidenepyrrolidine-2-carboxylate
SMILESC=C/C=C1/NC(C(=O)OC)C/C1=C/CC.CC
InChIInChI=1S/C12H17NO2.C2H6/c1-4-6-9-8-11(12(14)15-3)13-10(9)7-5-2;1-2/h5-7,11,13H,2,4,8H2,1,3H3;1-2H3/b9-6-,10-7+;
InChIKeyHQYYNQGBVYYTRY-RLMXOYLTSA-N
XLogP2.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;methyl (4Z,5E)-5-prop-2-enylidene-4-propylidenepyrrolidine-2-carboxylate?
The IUPAC name of ethane;methyl (4Z,5E)-5-prop-2-enylidene-4-propylidenepyrrolidine-2-carboxylate (CID 142034216) is ethane;methyl (4Z,5E)-5-prop-2-enylidene-4-propylidenepyrrolidine-2-carboxylate.
What is the SMILES notation for ethane;methyl (4Z,5E)-5-prop-2-enylidene-4-propylidenepyrrolidine-2-carboxylate?
The canonical SMILES for ethane;methyl (4Z,5E)-5-prop-2-enylidene-4-propylidenepyrrolidine-2-carboxylate is C=C/C=C1/NC(C(=O)OC)C/C1=C/CC.CC.
What is the InChIKey of ethane;methyl (4Z,5E)-5-prop-2-enylidene-4-propylidenepyrrolidine-2-carboxylate?
The InChIKey is HQYYNQGBVYYTRY-RLMXOYLTSA-N. The full InChI is InChI=1S/C12H17NO2.C2H6/c1-4-6-9-8-11(12(14)15-3)13-10(9)7-5-2;1-2/h5-7,11,13H,2,4,8H2,1,3H3;1-2H3/b9-6-,10-7+;.
What are the key properties of ethane;methyl (4Z,5E)-5-prop-2-enylidene-4-propylidenepyrrolidine-2-carboxylate?
ethane;methyl (4Z,5E)-5-prop-2-enylidene-4-propylidenepyrrolidine-2-carboxylate has a molecular weight of 237.34 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl (4Z,5E)-5-prop-2-enylidene-4-propylidenepyrrolidine-2-carboxylate is sourced from PubChem (CID 142034216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).