(5E)-1-ethyl-2-methyl-4-methylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenepyrrole

C14H19N — CID 126631877

IUPAC(5E)-1-ethyl-2-methyl-4-methylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenepyrrole
SMILESC=C/C=c1\c(=C)c(/C=C\C)c(C)n1CC
InChIInChI=1S/C14H19N/c1-6-9-13-11(4)14(10-7-2)15(8-3)12(13)5/h6-7,9-10H,2,4,8H2,1,3,5H3/b9-6-,14-10+
InChIKeyOYFFPOVTBNXJNH-KBFXXWBJSA-N
MW201.31 g/mol
LogP2.23
Rot. Bonds3

About (5E)-1-ethyl-2-methyl-4-methylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenepyrrole

(5E)-1-ethyl-2-methyl-4-methylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenepyrrole (PubChem CID 126631877) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is (5E)-1-ethyl-2-methyl-4-methylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenepyrrole.

Molecular Properties

Compound Name(5E)-1-ethyl-2-methyl-4-methylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenepyrrole
PubChem CID126631877
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name(5E)-1-ethyl-2-methyl-4-methylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenepyrrole
SMILESC=C/C=c1\c(=C)c(/C=C\C)c(C)n1CC
InChIInChI=1S/C14H19N/c1-6-9-13-11(4)14(10-7-2)15(8-3)12(13)5/h6-7,9-10H,2,4,8H2,1,3,5H3/b9-6-,14-10+
InChIKeyOYFFPOVTBNXJNH-KBFXXWBJSA-N
XLogP2.23
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5E)-1-ethyl-2-methyl-4-methylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenepyrrole?
The IUPAC name of (5E)-1-ethyl-2-methyl-4-methylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenepyrrole (CID 126631877) is (5E)-1-ethyl-2-methyl-4-methylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenepyrrole.
What is the SMILES notation for (5E)-1-ethyl-2-methyl-4-methylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenepyrrole?
The canonical SMILES for (5E)-1-ethyl-2-methyl-4-methylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenepyrrole is C=C/C=c1\c(=C)c(/C=C\C)c(C)n1CC.
What is the InChIKey of (5E)-1-ethyl-2-methyl-4-methylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenepyrrole?
The InChIKey is OYFFPOVTBNXJNH-KBFXXWBJSA-N. The full InChI is InChI=1S/C14H19N/c1-6-9-13-11(4)14(10-7-2)15(8-3)12(13)5/h6-7,9-10H,2,4,8H2,1,3,5H3/b9-6-,14-10+.
What are the key properties of (5E)-1-ethyl-2-methyl-4-methylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenepyrrole?
(5E)-1-ethyl-2-methyl-4-methylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenepyrrole has a molecular weight of 201.31 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-1-ethyl-2-methyl-4-methylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenepyrrole is sourced from PubChem (CID 126631877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).