(3Z)-3-[(Z)-but-2-enylidene]-5-methyl-2-methylidene-1H-pyrrole

C10H13N — CID 90191017

IUPAC(3Z)-3-[(Z)-but-2-enylidene]-5-methyl-2-methylidene-1H-pyrrole
SMILESC=c1[nH]c(C)c/c1=C/C=C\C
InChIInChI=1S/C10H13N/c1-4-5-6-10-7-8(2)11-9(10)3/h4-7,11H,3H2,1-2H3/b5-4-,10-6-
InChIKeyVYUPKSQOGDKUPR-ARSRRCBKSA-N
MW147.22 g/mol
LogP1.09
Rot. Bonds1

About (3Z)-3-[(Z)-but-2-enylidene]-5-methyl-2-methylidene-1H-pyrrole

(3Z)-3-[(Z)-but-2-enylidene]-5-methyl-2-methylidene-1H-pyrrole (PubChem CID 90191017) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is (3Z)-3-[(Z)-but-2-enylidene]-5-methyl-2-methylidene-1H-pyrrole.

Molecular Properties

Compound Name(3Z)-3-[(Z)-but-2-enylidene]-5-methyl-2-methylidene-1H-pyrrole
PubChem CID90191017
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name(3Z)-3-[(Z)-but-2-enylidene]-5-methyl-2-methylidene-1H-pyrrole
SMILESC=c1[nH]c(C)c/c1=C/C=C\C
InChIInChI=1S/C10H13N/c1-4-5-6-10-7-8(2)11-9(10)3/h4-7,11H,3H2,1-2H3/b5-4-,10-6-
InChIKeyVYUPKSQOGDKUPR-ARSRRCBKSA-N
XLogP1.09
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(Z)-but-2-enylidene]-5-methyl-2-methylidene-1H-pyrrole?
The IUPAC name of (3Z)-3-[(Z)-but-2-enylidene]-5-methyl-2-methylidene-1H-pyrrole (CID 90191017) is (3Z)-3-[(Z)-but-2-enylidene]-5-methyl-2-methylidene-1H-pyrrole.
What is the SMILES notation for (3Z)-3-[(Z)-but-2-enylidene]-5-methyl-2-methylidene-1H-pyrrole?
The canonical SMILES for (3Z)-3-[(Z)-but-2-enylidene]-5-methyl-2-methylidene-1H-pyrrole is C=c1[nH]c(C)c/c1=C/C=C\C.
What is the InChIKey of (3Z)-3-[(Z)-but-2-enylidene]-5-methyl-2-methylidene-1H-pyrrole?
The InChIKey is VYUPKSQOGDKUPR-ARSRRCBKSA-N. The full InChI is InChI=1S/C10H13N/c1-4-5-6-10-7-8(2)11-9(10)3/h4-7,11H,3H2,1-2H3/b5-4-,10-6-.
What are the key properties of (3Z)-3-[(Z)-but-2-enylidene]-5-methyl-2-methylidene-1H-pyrrole?
(3Z)-3-[(Z)-but-2-enylidene]-5-methyl-2-methylidene-1H-pyrrole has a molecular weight of 147.22 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(Z)-but-2-enylidene]-5-methyl-2-methylidene-1H-pyrrole is sourced from PubChem (CID 90191017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).