3-[(Z)-but-2-enyl]-1H-pyrrole

C8H11N — CID 145123037

IUPAC3-[(Z)-but-2-enyl]-1H-pyrrole
SMILESC/C=C\Cc1cc[nH]c1
InChIInChI=1S/C8H11N/c1-2-3-4-8-5-6-9-7-8/h2-3,5-7,9H,4H2,1H3/b3-2-
InChIKeyWPGSHCZLZFSUDT-IHWYPQMZSA-N
MW121.18 g/mol
LogP2.13
Rot. Bonds2

About 3-[(Z)-but-2-enyl]-1H-pyrrole

3-[(Z)-but-2-enyl]-1H-pyrrole (PubChem CID 145123037) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 3-[(Z)-but-2-enyl]-1H-pyrrole.

Molecular Properties

Compound Name3-[(Z)-but-2-enyl]-1H-pyrrole
PubChem CID145123037
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name3-[(Z)-but-2-enyl]-1H-pyrrole
SMILESC/C=C\Cc1cc[nH]c1
InChIInChI=1S/C8H11N/c1-2-3-4-8-5-6-9-7-8/h2-3,5-7,9H,4H2,1H3/b3-2-
InChIKeyWPGSHCZLZFSUDT-IHWYPQMZSA-N
XLogP2.13
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-but-2-enyl]-1H-pyrrole?
The IUPAC name of 3-[(Z)-but-2-enyl]-1H-pyrrole (CID 145123037) is 3-[(Z)-but-2-enyl]-1H-pyrrole.
What is the SMILES notation for 3-[(Z)-but-2-enyl]-1H-pyrrole?
The canonical SMILES for 3-[(Z)-but-2-enyl]-1H-pyrrole is C/C=C\Cc1cc[nH]c1.
What is the InChIKey of 3-[(Z)-but-2-enyl]-1H-pyrrole?
The InChIKey is WPGSHCZLZFSUDT-IHWYPQMZSA-N. The full InChI is InChI=1S/C8H11N/c1-2-3-4-8-5-6-9-7-8/h2-3,5-7,9H,4H2,1H3/b3-2-.
What are the key properties of 3-[(Z)-but-2-enyl]-1H-pyrrole?
3-[(Z)-but-2-enyl]-1H-pyrrole has a molecular weight of 121.18 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-but-2-enyl]-1H-pyrrole is sourced from PubChem (CID 145123037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).