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

C7H9N — CID 6083338

IUPAC1-[(E)-prop-1-enyl]pyrrole
SMILESC/C=C/n1cccc1
InChIInChI=1S/C7H9N/c1-2-5-8-6-3-4-7-8/h2-7H,1H3/b5-2+
InChIKeyFXWBVPHFFCAGCZ-GORDUTHDSA-N
MW107.16 g/mol
LogP1.98
Rot. Bonds1

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

1-[(E)-prop-1-enyl]pyrrole (PubChem CID 6083338) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is 1-[(E)-prop-1-enyl]pyrrole.

Molecular Properties

Compound Name1-[(E)-prop-1-enyl]pyrrole
PubChem CID6083338
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC Name1-[(E)-prop-1-enyl]pyrrole
SMILESC/C=C/n1cccc1
InChIInChI=1S/C7H9N/c1-2-5-8-6-3-4-7-8/h2-7H,1H3/b5-2+
InChIKeyFXWBVPHFFCAGCZ-GORDUTHDSA-N
XLogP1.98
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.16
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-prop-1-enyl]pyrrole?
The IUPAC name of 1-[(E)-prop-1-enyl]pyrrole (CID 6083338) is 1-[(E)-prop-1-enyl]pyrrole.
What is the SMILES notation for 1-[(E)-prop-1-enyl]pyrrole?
The canonical SMILES for 1-[(E)-prop-1-enyl]pyrrole is C/C=C/n1cccc1.
What is the InChIKey of 1-[(E)-prop-1-enyl]pyrrole?
The InChIKey is FXWBVPHFFCAGCZ-GORDUTHDSA-N. The full InChI is InChI=1S/C7H9N/c1-2-5-8-6-3-4-7-8/h2-7H,1H3/b5-2+.
What are the key properties of 1-[(E)-prop-1-enyl]pyrrole?
1-[(E)-prop-1-enyl]pyrrole has a molecular weight of 107.16 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-prop-1-enyl]pyrrole is sourced from PubChem (CID 6083338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).