(3Z)-5-tert-butyl-3-[(Z)-2-methylbut-2-enylidene]-2-methylidene-1H-pyrrole

C14H21N — CID 70971243

IUPAC(3Z)-5-tert-butyl-3-[(Z)-2-methylbut-2-enylidene]-2-methylidene-1H-pyrrole
SMILESC=c1[nH]c(C(C)(C)C)c/c1=C/C(C)=C\C
InChIInChI=1S/C14H21N/c1-7-10(2)8-12-9-13(14(4,5)6)15-11(12)3/h7-9,15H,3H2,1-2,4-6H3/b10-7-,12-8-
InChIKeyQLOLGNVDKNMIAL-NQXFEYKRSA-N
MW203.33 g/mol
LogP2.47
Rot. Bonds1

About (3Z)-5-tert-butyl-3-[(Z)-2-methylbut-2-enylidene]-2-methylidene-1H-pyrrole

(3Z)-5-tert-butyl-3-[(Z)-2-methylbut-2-enylidene]-2-methylidene-1H-pyrrole (PubChem CID 70971243) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is (3Z)-5-tert-butyl-3-[(Z)-2-methylbut-2-enylidene]-2-methylidene-1H-pyrrole.

Molecular Properties

Compound Name(3Z)-5-tert-butyl-3-[(Z)-2-methylbut-2-enylidene]-2-methylidene-1H-pyrrole
PubChem CID70971243
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name(3Z)-5-tert-butyl-3-[(Z)-2-methylbut-2-enylidene]-2-methylidene-1H-pyrrole
SMILESC=c1[nH]c(C(C)(C)C)c/c1=C/C(C)=C\C
InChIInChI=1S/C14H21N/c1-7-10(2)8-12-9-13(14(4,5)6)15-11(12)3/h7-9,15H,3H2,1-2,4-6H3/b10-7-,12-8-
InChIKeyQLOLGNVDKNMIAL-NQXFEYKRSA-N
XLogP2.47
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (3Z)-5-tert-butyl-3-[(Z)-2-methylbut-2-enylidene]-2-methylidene-1H-pyrrole?
The IUPAC name of (3Z)-5-tert-butyl-3-[(Z)-2-methylbut-2-enylidene]-2-methylidene-1H-pyrrole (CID 70971243) is (3Z)-5-tert-butyl-3-[(Z)-2-methylbut-2-enylidene]-2-methylidene-1H-pyrrole.
What is the SMILES notation for (3Z)-5-tert-butyl-3-[(Z)-2-methylbut-2-enylidene]-2-methylidene-1H-pyrrole?
The canonical SMILES for (3Z)-5-tert-butyl-3-[(Z)-2-methylbut-2-enylidene]-2-methylidene-1H-pyrrole is C=c1[nH]c(C(C)(C)C)c/c1=C/C(C)=C\C.
What is the InChIKey of (3Z)-5-tert-butyl-3-[(Z)-2-methylbut-2-enylidene]-2-methylidene-1H-pyrrole?
The InChIKey is QLOLGNVDKNMIAL-NQXFEYKRSA-N. The full InChI is InChI=1S/C14H21N/c1-7-10(2)8-12-9-13(14(4,5)6)15-11(12)3/h7-9,15H,3H2,1-2,4-6H3/b10-7-,12-8-.
What are the key properties of (3Z)-5-tert-butyl-3-[(Z)-2-methylbut-2-enylidene]-2-methylidene-1H-pyrrole?
(3Z)-5-tert-butyl-3-[(Z)-2-methylbut-2-enylidene]-2-methylidene-1H-pyrrole has a molecular weight of 203.33 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-tert-butyl-3-[(Z)-2-methylbut-2-enylidene]-2-methylidene-1H-pyrrole is sourced from PubChem (CID 70971243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).