1-prop-1-en-2-ylpyrrole

C7H9N — CID 12060511

IUPAC1-prop-1-en-2-ylpyrrole
SMILESC=C(C)n1cccc1
InChIInChI=1S/C7H9N/c1-7(2)8-5-3-4-6-8/h3-6H,1H2,2H3
InChIKeyWIZPWTOFPFQRKV-UHFFFAOYSA-N
MW107.16 g/mol
LogP1.98
Rot. Bonds1

About 1-prop-1-en-2-ylpyrrole

1-prop-1-en-2-ylpyrrole (PubChem CID 12060511) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is 1-prop-1-en-2-ylpyrrole.

Molecular Properties

Compound Name1-prop-1-en-2-ylpyrrole
PubChem CID12060511
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC Name1-prop-1-en-2-ylpyrrole
SMILESC=C(C)n1cccc1
InChIInChI=1S/C7H9N/c1-7(2)8-5-3-4-6-8/h3-6H,1H2,2H3
InChIKeyWIZPWTOFPFQRKV-UHFFFAOYSA-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

Analyze 1-prop-1-en-2-ylpyrrole 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 1-prop-1-en-2-ylpyrrole?
The IUPAC name of 1-prop-1-en-2-ylpyrrole (CID 12060511) is 1-prop-1-en-2-ylpyrrole.
What is the SMILES notation for 1-prop-1-en-2-ylpyrrole?
The canonical SMILES for 1-prop-1-en-2-ylpyrrole is C=C(C)n1cccc1.
What is the InChIKey of 1-prop-1-en-2-ylpyrrole?
The InChIKey is WIZPWTOFPFQRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N/c1-7(2)8-5-3-4-6-8/h3-6H,1H2,2H3.
What are the key properties of 1-prop-1-en-2-ylpyrrole?
1-prop-1-en-2-ylpyrrole 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-prop-1-en-2-ylpyrrole is sourced from PubChem (CID 12060511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).