4-but-2-enylidene-3-ethyl-1,2-dimethyl-5-methylidenepyrrole

C13H19N — CID 123761790

IUPAC4-but-2-enylidene-3-ethyl-1,2-dimethyl-5-methylidenepyrrole
SMILESC=c1c(=CC=CC)c(CC)c(C)n1C
InChIInChI=1S/C13H19N/c1-6-8-9-13-11(4)14(5)10(3)12(13)7-2/h6,8-9H,4,7H2,1-3,5H3
InChIKeyVMZPFQIZIDVULC-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.66
Rot. Bonds2

About 4-but-2-enylidene-3-ethyl-1,2-dimethyl-5-methylidenepyrrole

4-but-2-enylidene-3-ethyl-1,2-dimethyl-5-methylidenepyrrole (PubChem CID 123761790) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 4-but-2-enylidene-3-ethyl-1,2-dimethyl-5-methylidenepyrrole.

Molecular Properties

Compound Name4-but-2-enylidene-3-ethyl-1,2-dimethyl-5-methylidenepyrrole
PubChem CID123761790
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name4-but-2-enylidene-3-ethyl-1,2-dimethyl-5-methylidenepyrrole
SMILESC=c1c(=CC=CC)c(CC)c(C)n1C
InChIInChI=1S/C13H19N/c1-6-8-9-13-11(4)14(5)10(3)12(13)7-2/h6,8-9H,4,7H2,1-3,5H3
InChIKeyVMZPFQIZIDVULC-UHFFFAOYSA-N
XLogP1.66
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-but-2-enylidene-3-ethyl-1,2-dimethyl-5-methylidenepyrrole?
The IUPAC name of 4-but-2-enylidene-3-ethyl-1,2-dimethyl-5-methylidenepyrrole (CID 123761790) is 4-but-2-enylidene-3-ethyl-1,2-dimethyl-5-methylidenepyrrole.
What is the SMILES notation for 4-but-2-enylidene-3-ethyl-1,2-dimethyl-5-methylidenepyrrole?
The canonical SMILES for 4-but-2-enylidene-3-ethyl-1,2-dimethyl-5-methylidenepyrrole is C=c1c(=CC=CC)c(CC)c(C)n1C.
What is the InChIKey of 4-but-2-enylidene-3-ethyl-1,2-dimethyl-5-methylidenepyrrole?
The InChIKey is VMZPFQIZIDVULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-6-8-9-13-11(4)14(5)10(3)12(13)7-2/h6,8-9H,4,7H2,1-3,5H3.
What are the key properties of 4-but-2-enylidene-3-ethyl-1,2-dimethyl-5-methylidenepyrrole?
4-but-2-enylidene-3-ethyl-1,2-dimethyl-5-methylidenepyrrole has a molecular weight of 189.30 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-2-enylidene-3-ethyl-1,2-dimethyl-5-methylidenepyrrole is sourced from PubChem (CID 123761790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).