4-ethyl-3-(1-methoxyprop-2-enylidene)-2-propylidene-1H-pyrrole

C13H19NO — CID 123284258

IUPAC4-ethyl-3-(1-methoxyprop-2-enylidene)-2-propylidene-1H-pyrrole
SMILESC=CC(OC)=c1c(CC)c[nH]c1=CCC
InChIInChI=1S/C13H19NO/c1-5-8-11-13(12(7-3)15-4)10(6-2)9-14-11/h7-9,14H,3,5-6H2,1-2,4H3
InChIKeySHHSYMPPTXKGDT-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.71
Rot. Bonds4

About 4-ethyl-3-(1-methoxyprop-2-enylidene)-2-propylidene-1H-pyrrole

4-ethyl-3-(1-methoxyprop-2-enylidene)-2-propylidene-1H-pyrrole (PubChem CID 123284258) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-ethyl-3-(1-methoxyprop-2-enylidene)-2-propylidene-1H-pyrrole.

Molecular Properties

Compound Name4-ethyl-3-(1-methoxyprop-2-enylidene)-2-propylidene-1H-pyrrole
PubChem CID123284258
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4-ethyl-3-(1-methoxyprop-2-enylidene)-2-propylidene-1H-pyrrole
SMILESC=CC(OC)=c1c(CC)c[nH]c1=CCC
InChIInChI=1S/C13H19NO/c1-5-8-11-13(12(7-3)15-4)10(6-2)9-14-11/h7-9,14H,3,5-6H2,1-2,4H3
InChIKeySHHSYMPPTXKGDT-UHFFFAOYSA-N
XLogP1.71
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(1-methoxyprop-2-enylidene)-2-propylidene-1H-pyrrole?
The IUPAC name of 4-ethyl-3-(1-methoxyprop-2-enylidene)-2-propylidene-1H-pyrrole (CID 123284258) is 4-ethyl-3-(1-methoxyprop-2-enylidene)-2-propylidene-1H-pyrrole.
What is the SMILES notation for 4-ethyl-3-(1-methoxyprop-2-enylidene)-2-propylidene-1H-pyrrole?
The canonical SMILES for 4-ethyl-3-(1-methoxyprop-2-enylidene)-2-propylidene-1H-pyrrole is C=CC(OC)=c1c(CC)c[nH]c1=CCC.
What is the InChIKey of 4-ethyl-3-(1-methoxyprop-2-enylidene)-2-propylidene-1H-pyrrole?
The InChIKey is SHHSYMPPTXKGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-5-8-11-13(12(7-3)15-4)10(6-2)9-14-11/h7-9,14H,3,5-6H2,1-2,4H3.
What are the key properties of 4-ethyl-3-(1-methoxyprop-2-enylidene)-2-propylidene-1H-pyrrole?
4-ethyl-3-(1-methoxyprop-2-enylidene)-2-propylidene-1H-pyrrole has a molecular weight of 205.30 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(1-methoxyprop-2-enylidene)-2-propylidene-1H-pyrrole is sourced from PubChem (CID 123284258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).