(2E)-2-(3-methylbut-2-enylidene)-3-methylidene-1H-pyrrole

C10H13N — CID 87160329

IUPAC(2E)-2-(3-methylbut-2-enylidene)-3-methylidene-1H-pyrrole
SMILESC=c1cc[nH]/c1=C/C=C(C)C
InChIInChI=1S/C10H13N/c1-8(2)4-5-10-9(3)6-7-11-10/h4-7,11H,3H2,1-2H3/b10-5+
InChIKeyQKOOZIDKQCGSBS-BJMVGYQFSA-N
MW147.22 g/mol
LogP1.17
Rot. Bonds1

About (2E)-2-(3-methylbut-2-enylidene)-3-methylidene-1H-pyrrole

(2E)-2-(3-methylbut-2-enylidene)-3-methylidene-1H-pyrrole (PubChem CID 87160329) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is (2E)-2-(3-methylbut-2-enylidene)-3-methylidene-1H-pyrrole.

Molecular Properties

Compound Name(2E)-2-(3-methylbut-2-enylidene)-3-methylidene-1H-pyrrole
PubChem CID87160329
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name(2E)-2-(3-methylbut-2-enylidene)-3-methylidene-1H-pyrrole
SMILESC=c1cc[nH]/c1=C/C=C(C)C
InChIInChI=1S/C10H13N/c1-8(2)4-5-10-9(3)6-7-11-10/h4-7,11H,3H2,1-2H3/b10-5+
InChIKeyQKOOZIDKQCGSBS-BJMVGYQFSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(3-methylbut-2-enylidene)-3-methylidene-1H-pyrrole?
The IUPAC name of (2E)-2-(3-methylbut-2-enylidene)-3-methylidene-1H-pyrrole (CID 87160329) is (2E)-2-(3-methylbut-2-enylidene)-3-methylidene-1H-pyrrole.
What is the SMILES notation for (2E)-2-(3-methylbut-2-enylidene)-3-methylidene-1H-pyrrole?
The canonical SMILES for (2E)-2-(3-methylbut-2-enylidene)-3-methylidene-1H-pyrrole is C=c1cc[nH]/c1=C/C=C(C)C.
What is the InChIKey of (2E)-2-(3-methylbut-2-enylidene)-3-methylidene-1H-pyrrole?
The InChIKey is QKOOZIDKQCGSBS-BJMVGYQFSA-N. The full InChI is InChI=1S/C10H13N/c1-8(2)4-5-10-9(3)6-7-11-10/h4-7,11H,3H2,1-2H3/b10-5+.
What are the key properties of (2E)-2-(3-methylbut-2-enylidene)-3-methylidene-1H-pyrrole?
(2E)-2-(3-methylbut-2-enylidene)-3-methylidene-1H-pyrrole has a molecular weight of 147.22 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(3-methylbut-2-enylidene)-3-methylidene-1H-pyrrole is sourced from PubChem (CID 87160329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).