(2E)-2-(3-methylbut-2-enylidene)-1,3-dihydropyrrole

C9H13N — CID 88581295

IUPAC(2E)-2-(3-methylbut-2-enylidene)-1,3-dihydropyrrole
SMILESCC(C)=C/C=C1\CC=CN1
InChIInChI=1S/C9H13N/c1-8(2)5-6-9-4-3-7-10-9/h3,5-7,10H,4H2,1-2H3/b9-6+
InChIKeyDDVXAKNCJPBTES-RMKNXTFCSA-N
MW135.21 g/mol
LogP2.34
Rot. Bonds1

About (2E)-2-(3-methylbut-2-enylidene)-1,3-dihydropyrrole

(2E)-2-(3-methylbut-2-enylidene)-1,3-dihydropyrrole (PubChem CID 88581295) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is (2E)-2-(3-methylbut-2-enylidene)-1,3-dihydropyrrole.

Molecular Properties

Compound Name(2E)-2-(3-methylbut-2-enylidene)-1,3-dihydropyrrole
PubChem CID88581295
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name(2E)-2-(3-methylbut-2-enylidene)-1,3-dihydropyrrole
SMILESCC(C)=C/C=C1\CC=CN1
InChIInChI=1S/C9H13N/c1-8(2)5-6-9-4-3-7-10-9/h3,5-7,10H,4H2,1-2H3/b9-6+
InChIKeyDDVXAKNCJPBTES-RMKNXTFCSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2E)-2-(3-methylbut-2-enylidene)-1,3-dihydropyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(3-methylbut-2-enylidene)-1,3-dihydropyrrole?
The IUPAC name of (2E)-2-(3-methylbut-2-enylidene)-1,3-dihydropyrrole (CID 88581295) is (2E)-2-(3-methylbut-2-enylidene)-1,3-dihydropyrrole.
What is the SMILES notation for (2E)-2-(3-methylbut-2-enylidene)-1,3-dihydropyrrole?
The canonical SMILES for (2E)-2-(3-methylbut-2-enylidene)-1,3-dihydropyrrole is CC(C)=C/C=C1\CC=CN1.
What is the InChIKey of (2E)-2-(3-methylbut-2-enylidene)-1,3-dihydropyrrole?
The InChIKey is DDVXAKNCJPBTES-RMKNXTFCSA-N. The full InChI is InChI=1S/C9H13N/c1-8(2)5-6-9-4-3-7-10-9/h3,5-7,10H,4H2,1-2H3/b9-6+.
What are the key properties of (2E)-2-(3-methylbut-2-enylidene)-1,3-dihydropyrrole?
(2E)-2-(3-methylbut-2-enylidene)-1,3-dihydropyrrole has a molecular weight of 135.21 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(3-methylbut-2-enylidene)-1,3-dihydropyrrole is sourced from PubChem (CID 88581295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).