(3E,4E)-5-methyl-3,4-bis(prop-2-enylidene)-2H-pyrrole

C11H13N — CID 174311014

IUPAC(3E,4E)-5-methyl-3,4-bis(prop-2-enylidene)-2H-pyrrole
SMILESC=C/C=C1/CN=C(C)/C1=C/C=C
InChIInChI=1S/C11H13N/c1-4-6-10-8-12-9(3)11(10)7-5-2/h4-7H,1-2,8H2,3H3/b10-6-,11-7-
InChIKeyFAEBSOJIVYWNNI-SQXCDDPUSA-N
MW159.23 g/mol
LogP2.69
Rot. Bonds2

About (3E,4E)-5-methyl-3,4-bis(prop-2-enylidene)-2H-pyrrole

(3E,4E)-5-methyl-3,4-bis(prop-2-enylidene)-2H-pyrrole (PubChem CID 174311014) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is (3E,4E)-5-methyl-3,4-bis(prop-2-enylidene)-2H-pyrrole.

Molecular Properties

Compound Name(3E,4E)-5-methyl-3,4-bis(prop-2-enylidene)-2H-pyrrole
PubChem CID174311014
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name(3E,4E)-5-methyl-3,4-bis(prop-2-enylidene)-2H-pyrrole
SMILESC=C/C=C1/CN=C(C)/C1=C/C=C
InChIInChI=1S/C11H13N/c1-4-6-10-8-12-9(3)11(10)7-5-2/h4-7H,1-2,8H2,3H3/b10-6-,11-7-
InChIKeyFAEBSOJIVYWNNI-SQXCDDPUSA-N
XLogP2.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3E,4E)-5-methyl-3,4-bis(prop-2-enylidene)-2H-pyrrole 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 (3E,4E)-5-methyl-3,4-bis(prop-2-enylidene)-2H-pyrrole?
The IUPAC name of (3E,4E)-5-methyl-3,4-bis(prop-2-enylidene)-2H-pyrrole (CID 174311014) is (3E,4E)-5-methyl-3,4-bis(prop-2-enylidene)-2H-pyrrole.
What is the SMILES notation for (3E,4E)-5-methyl-3,4-bis(prop-2-enylidene)-2H-pyrrole?
The canonical SMILES for (3E,4E)-5-methyl-3,4-bis(prop-2-enylidene)-2H-pyrrole is C=C/C=C1/CN=C(C)/C1=C/C=C.
What is the InChIKey of (3E,4E)-5-methyl-3,4-bis(prop-2-enylidene)-2H-pyrrole?
The InChIKey is FAEBSOJIVYWNNI-SQXCDDPUSA-N. The full InChI is InChI=1S/C11H13N/c1-4-6-10-8-12-9(3)11(10)7-5-2/h4-7H,1-2,8H2,3H3/b10-6-,11-7-.
What are the key properties of (3E,4E)-5-methyl-3,4-bis(prop-2-enylidene)-2H-pyrrole?
(3E,4E)-5-methyl-3,4-bis(prop-2-enylidene)-2H-pyrrole has a molecular weight of 159.23 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4E)-5-methyl-3,4-bis(prop-2-enylidene)-2H-pyrrole is sourced from PubChem (CID 174311014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).