2-ethenyl-4-prop-1-enyl-1H-pyrrole

C9H11N — CID 123523281

IUPAC2-ethenyl-4-prop-1-enyl-1H-pyrrole
SMILESC=Cc1cc(C=CC)c[nH]1
InChIInChI=1S/C9H11N/c1-3-5-8-6-9(4-2)10-7-8/h3-7,10H,2H2,1H3
InChIKeyPYCTVJCANNKMKJ-UHFFFAOYSA-N
MW133.19 g/mol
LogP2.69
Rot. Bonds2

About 2-ethenyl-4-prop-1-enyl-1H-pyrrole

2-ethenyl-4-prop-1-enyl-1H-pyrrole (PubChem CID 123523281) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is 2-ethenyl-4-prop-1-enyl-1H-pyrrole.

Molecular Properties

Compound Name2-ethenyl-4-prop-1-enyl-1H-pyrrole
PubChem CID123523281
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name2-ethenyl-4-prop-1-enyl-1H-pyrrole
SMILESC=Cc1cc(C=CC)c[nH]1
InChIInChI=1S/C9H11N/c1-3-5-8-6-9(4-2)10-7-8/h3-7,10H,2H2,1H3
InChIKeyPYCTVJCANNKMKJ-UHFFFAOYSA-N
XLogP2.69
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4-prop-1-enyl-1H-pyrrole?
The IUPAC name of 2-ethenyl-4-prop-1-enyl-1H-pyrrole (CID 123523281) is 2-ethenyl-4-prop-1-enyl-1H-pyrrole.
What is the SMILES notation for 2-ethenyl-4-prop-1-enyl-1H-pyrrole?
The canonical SMILES for 2-ethenyl-4-prop-1-enyl-1H-pyrrole is C=Cc1cc(C=CC)c[nH]1.
What is the InChIKey of 2-ethenyl-4-prop-1-enyl-1H-pyrrole?
The InChIKey is PYCTVJCANNKMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N/c1-3-5-8-6-9(4-2)10-7-8/h3-7,10H,2H2,1H3.
What are the key properties of 2-ethenyl-4-prop-1-enyl-1H-pyrrole?
2-ethenyl-4-prop-1-enyl-1H-pyrrole has a molecular weight of 133.19 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4-prop-1-enyl-1H-pyrrole is sourced from PubChem (CID 123523281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).