(2E)-1-butyl-4-ethyl-3-methylidene-2-prop-2-enylidenepyrrole

C14H21N — CID 143502780

IUPAC(2E)-1-butyl-4-ethyl-3-methylidene-2-prop-2-enylidenepyrrole
SMILESC=C/C=c1\c(=C)c(CC)cn1CCCC
InChIInChI=1S/C14H21N/c1-5-8-10-15-11-13(7-3)12(4)14(15)9-6-2/h6,9,11H,2,4-5,7-8,10H2,1,3H3/b14-9+
InChIKeyRWHHQNICAHYEHO-NTEUORMPSA-N
MW203.33 g/mol
LogP2.23
Rot. Bonds5

About (2E)-1-butyl-4-ethyl-3-methylidene-2-prop-2-enylidenepyrrole

(2E)-1-butyl-4-ethyl-3-methylidene-2-prop-2-enylidenepyrrole (PubChem CID 143502780) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is (2E)-1-butyl-4-ethyl-3-methylidene-2-prop-2-enylidenepyrrole.

Molecular Properties

Compound Name(2E)-1-butyl-4-ethyl-3-methylidene-2-prop-2-enylidenepyrrole
PubChem CID143502780
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name(2E)-1-butyl-4-ethyl-3-methylidene-2-prop-2-enylidenepyrrole
SMILESC=C/C=c1\c(=C)c(CC)cn1CCCC
InChIInChI=1S/C14H21N/c1-5-8-10-15-11-13(7-3)12(4)14(15)9-6-2/h6,9,11H,2,4-5,7-8,10H2,1,3H3/b14-9+
InChIKeyRWHHQNICAHYEHO-NTEUORMPSA-N
XLogP2.23
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E)-1-butyl-4-ethyl-3-methylidene-2-prop-2-enylidenepyrrole?
The IUPAC name of (2E)-1-butyl-4-ethyl-3-methylidene-2-prop-2-enylidenepyrrole (CID 143502780) is (2E)-1-butyl-4-ethyl-3-methylidene-2-prop-2-enylidenepyrrole.
What is the SMILES notation for (2E)-1-butyl-4-ethyl-3-methylidene-2-prop-2-enylidenepyrrole?
The canonical SMILES for (2E)-1-butyl-4-ethyl-3-methylidene-2-prop-2-enylidenepyrrole is C=C/C=c1\c(=C)c(CC)cn1CCCC.
What is the InChIKey of (2E)-1-butyl-4-ethyl-3-methylidene-2-prop-2-enylidenepyrrole?
The InChIKey is RWHHQNICAHYEHO-NTEUORMPSA-N. The full InChI is InChI=1S/C14H21N/c1-5-8-10-15-11-13(7-3)12(4)14(15)9-6-2/h6,9,11H,2,4-5,7-8,10H2,1,3H3/b14-9+.
What are the key properties of (2E)-1-butyl-4-ethyl-3-methylidene-2-prop-2-enylidenepyrrole?
(2E)-1-butyl-4-ethyl-3-methylidene-2-prop-2-enylidenepyrrole has a molecular weight of 203.33 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-butyl-4-ethyl-3-methylidene-2-prop-2-enylidenepyrrole is sourced from PubChem (CID 143502780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).