1-ethenyl-3-prop-1-en-2-ylpyrrole

C9H11N — CID 10654263

IUPAC1-ethenyl-3-prop-1-en-2-ylpyrrole
SMILESC=Cn1ccc(C(=C)C)c1
InChIInChI=1S/C9H11N/c1-4-10-6-5-9(7-10)8(2)3/h4-7H,1-2H2,3H3
InChIKeyDFQSXYLATPCYMU-UHFFFAOYSA-N
MW133.19 g/mol
LogP2.62
Rot. Bonds2

About 1-ethenyl-3-prop-1-en-2-ylpyrrole

1-ethenyl-3-prop-1-en-2-ylpyrrole (PubChem CID 10654263) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is 1-ethenyl-3-prop-1-en-2-ylpyrrole.

Molecular Properties

Compound Name1-ethenyl-3-prop-1-en-2-ylpyrrole
PubChem CID10654263
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name1-ethenyl-3-prop-1-en-2-ylpyrrole
SMILESC=Cn1ccc(C(=C)C)c1
InChIInChI=1S/C9H11N/c1-4-10-6-5-9(7-10)8(2)3/h4-7H,1-2H2,3H3
InChIKeyDFQSXYLATPCYMU-UHFFFAOYSA-N
XLogP2.62
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-prop-1-en-2-ylpyrrole?
The IUPAC name of 1-ethenyl-3-prop-1-en-2-ylpyrrole (CID 10654263) is 1-ethenyl-3-prop-1-en-2-ylpyrrole.
What is the SMILES notation for 1-ethenyl-3-prop-1-en-2-ylpyrrole?
The canonical SMILES for 1-ethenyl-3-prop-1-en-2-ylpyrrole is C=Cn1ccc(C(=C)C)c1.
What is the InChIKey of 1-ethenyl-3-prop-1-en-2-ylpyrrole?
The InChIKey is DFQSXYLATPCYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N/c1-4-10-6-5-9(7-10)8(2)3/h4-7H,1-2H2,3H3.
What are the key properties of 1-ethenyl-3-prop-1-en-2-ylpyrrole?
1-ethenyl-3-prop-1-en-2-ylpyrrole has a molecular weight of 133.19 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-prop-1-en-2-ylpyrrole is sourced from PubChem (CID 10654263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).