2-(2-prop-2-enylphenyl)-1H-pyrrole

C13H13N — CID 173027553

IUPAC2-(2-prop-2-enylphenyl)-1H-pyrrole
SMILESC=CCc1ccccc1-c1ccc[nH]1
InChIInChI=1S/C13H13N/c1-2-6-11-7-3-4-8-12(11)13-9-5-10-14-13/h2-5,7-10,14H,1,6H2
InChIKeyVOJBEESFGKHTFE-UHFFFAOYSA-N
MW183.25 g/mol
LogP3.41
Rot. Bonds3

About 2-(2-prop-2-enylphenyl)-1H-pyrrole

2-(2-prop-2-enylphenyl)-1H-pyrrole (PubChem CID 173027553) has the molecular formula C13H13N and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-(2-prop-2-enylphenyl)-1H-pyrrole.

Molecular Properties

Compound Name2-(2-prop-2-enylphenyl)-1H-pyrrole
PubChem CID173027553
Molecular FormulaC13H13N
Molecular Weight183.25 g/mol
Exact Mass183.10
IUPAC Name2-(2-prop-2-enylphenyl)-1H-pyrrole
SMILESC=CCc1ccccc1-c1ccc[nH]1
InChIInChI=1S/C13H13N/c1-2-6-11-7-3-4-8-12(11)13-9-5-10-14-13/h2-5,7-10,14H,1,6H2
InChIKeyVOJBEESFGKHTFE-UHFFFAOYSA-N
XLogP3.41
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(2-prop-2-enylphenyl)-1H-pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-prop-2-enylselenophen-2-yl)-1H-pyrrole
CID 87256179
2-prop-2-enyl-1H-pyrrole
CID 527534
1-benzyl-2-(2-prop-2-enylphenyl)benzene
CID 173274137
2-[3-(1H-pyrrol-2-yl)azulen-1-yl]-1H-pyrrole
CID 11265392
calcium bis(2-prop-2-enylbenzenethiolate)
CID 175031842
2-(2-bromophenyl)-1H-pyrrole
CID 57266902
1-phenyl-2-prop-2-enylbenzene;stilbene
CID 173298564
formic acid;1-phenyl-2-prop-2-enylbenzene
CID 174921582
2-(2-prop-2-enylphenyl)phenol;sulfuric acid
CID 67728772
1-methyl-2,3-bis(2-prop-2-enylphenyl)benzene
CID 173365962
1-prop-2-enyl-2-[2-[2-(2-prop-2-enylphenyl)ethenoxy]ethenyl]benzene
CID 91271016
2-[2,6-bis(prop-2-enyl)phenyl]-1,3-bis(prop-2-enyl)benzene
CID 173186666

Frequently Asked Questions

What is the IUPAC name of 2-(2-prop-2-enylphenyl)-1H-pyrrole?
The IUPAC name of 2-(2-prop-2-enylphenyl)-1H-pyrrole (CID 173027553) is 2-(2-prop-2-enylphenyl)-1H-pyrrole.
What is the SMILES notation for 2-(2-prop-2-enylphenyl)-1H-pyrrole?
The canonical SMILES for 2-(2-prop-2-enylphenyl)-1H-pyrrole is C=CCc1ccccc1-c1ccc[nH]1.
What is the InChIKey of 2-(2-prop-2-enylphenyl)-1H-pyrrole?
The InChIKey is VOJBEESFGKHTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N/c1-2-6-11-7-3-4-8-12(11)13-9-5-10-14-13/h2-5,7-10,14H,1,6H2.
What are the key properties of 2-(2-prop-2-enylphenyl)-1H-pyrrole?
2-(2-prop-2-enylphenyl)-1H-pyrrole has a molecular weight of 183.25 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-prop-2-enylphenyl)-1H-pyrrole is sourced from PubChem (CID 173027553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).