1-[(E)-but-1-enyl]pyrrole

C8H11N — CID 87862712

IUPAC1-[(E)-but-1-enyl]pyrrole
SMILESCC/C=C/n1cccc1
InChIInChI=1S/C8H11N/c1-2-3-6-9-7-4-5-8-9/h3-8H,2H2,1H3/b6-3+
InChIKeyQGQNYWDNYSXWSY-ZZXKWVIFSA-N
MW121.18 g/mol
LogP2.37
Rot. Bonds2

About 1-[(E)-but-1-enyl]pyrrole

1-[(E)-but-1-enyl]pyrrole (PubChem CID 87862712) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 1-[(E)-but-1-enyl]pyrrole.

Molecular Properties

Compound Name1-[(E)-but-1-enyl]pyrrole
PubChem CID87862712
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name1-[(E)-but-1-enyl]pyrrole
SMILESCC/C=C/n1cccc1
InChIInChI=1S/C8H11N/c1-2-3-6-9-7-4-5-8-9/h3-8H,2H2,1H3/b6-3+
InChIKeyQGQNYWDNYSXWSY-ZZXKWVIFSA-N
XLogP2.37
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-1-enyl]pyrrole?
The IUPAC name of 1-[(E)-but-1-enyl]pyrrole (CID 87862712) is 1-[(E)-but-1-enyl]pyrrole.
What is the SMILES notation for 1-[(E)-but-1-enyl]pyrrole?
The canonical SMILES for 1-[(E)-but-1-enyl]pyrrole is CC/C=C/n1cccc1.
What is the InChIKey of 1-[(E)-but-1-enyl]pyrrole?
The InChIKey is QGQNYWDNYSXWSY-ZZXKWVIFSA-N. The full InChI is InChI=1S/C8H11N/c1-2-3-6-9-7-4-5-8-9/h3-8H,2H2,1H3/b6-3+.
What are the key properties of 1-[(E)-but-1-enyl]pyrrole?
1-[(E)-but-1-enyl]pyrrole has a molecular weight of 121.18 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-1-enyl]pyrrole is sourced from PubChem (CID 87862712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).