2,5-bis[(1Z)-buta-1,3-dienyl]-1,3,4-trimethylpyrrole

C15H19N — CID 134478719

IUPAC2,5-bis[(1Z)-buta-1,3-dienyl]-1,3,4-trimethylpyrrole
SMILESC=C/C=C\c1c(C)c(C)c(/C=C\C=C)n1C
InChIInChI=1S/C15H19N/c1-6-8-10-14-12(3)13(4)15(16(14)5)11-9-7-2/h6-11H,1-2H2,3-5H3/b10-8-,11-9-
InChIKeyUEHSAHLPOSMNHB-WGEIWTTOSA-N
MW213.32 g/mol
LogP4.04
Rot. Bonds4

About 2,5-bis[(1Z)-buta-1,3-dienyl]-1,3,4-trimethylpyrrole

2,5-bis[(1Z)-buta-1,3-dienyl]-1,3,4-trimethylpyrrole (PubChem CID 134478719) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 2,5-bis[(1Z)-buta-1,3-dienyl]-1,3,4-trimethylpyrrole.

Molecular Properties

Compound Name2,5-bis[(1Z)-buta-1,3-dienyl]-1,3,4-trimethylpyrrole
PubChem CID134478719
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name2,5-bis[(1Z)-buta-1,3-dienyl]-1,3,4-trimethylpyrrole
SMILESC=C/C=C\c1c(C)c(C)c(/C=C\C=C)n1C
InChIInChI=1S/C15H19N/c1-6-8-10-14-12(3)13(4)15(16(14)5)11-9-7-2/h6-11H,1-2H2,3-5H3/b10-8-,11-9-
InChIKeyUEHSAHLPOSMNHB-WGEIWTTOSA-N
XLogP4.04
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis[(1Z)-buta-1,3-dienyl]-1,3,4-trimethylpyrrole?
The IUPAC name of 2,5-bis[(1Z)-buta-1,3-dienyl]-1,3,4-trimethylpyrrole (CID 134478719) is 2,5-bis[(1Z)-buta-1,3-dienyl]-1,3,4-trimethylpyrrole.
What is the SMILES notation for 2,5-bis[(1Z)-buta-1,3-dienyl]-1,3,4-trimethylpyrrole?
The canonical SMILES for 2,5-bis[(1Z)-buta-1,3-dienyl]-1,3,4-trimethylpyrrole is C=C/C=C\c1c(C)c(C)c(/C=C\C=C)n1C.
What is the InChIKey of 2,5-bis[(1Z)-buta-1,3-dienyl]-1,3,4-trimethylpyrrole?
The InChIKey is UEHSAHLPOSMNHB-WGEIWTTOSA-N. The full InChI is InChI=1S/C15H19N/c1-6-8-10-14-12(3)13(4)15(16(14)5)11-9-7-2/h6-11H,1-2H2,3-5H3/b10-8-,11-9-.
What are the key properties of 2,5-bis[(1Z)-buta-1,3-dienyl]-1,3,4-trimethylpyrrole?
2,5-bis[(1Z)-buta-1,3-dienyl]-1,3,4-trimethylpyrrole has a molecular weight of 213.32 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[(1Z)-buta-1,3-dienyl]-1,3,4-trimethylpyrrole is sourced from PubChem (CID 134478719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).