1-ethenyl-2-phenylpyrrole

C12H11N — CID 4570712

IUPAC1-ethenyl-2-phenylpyrrole
SMILESC=Cn1cccc1-c1ccccc1
InChIInChI=1S/C12H11N/c1-2-13-10-6-9-12(13)11-7-4-3-5-8-11/h2-10H,1H2
InChIKeyMPYQQNLHTLYXNA-UHFFFAOYSA-N
MW169.23 g/mol
LogP3.26
Rot. Bonds2

About 1-ethenyl-2-phenylpyrrole

1-ethenyl-2-phenylpyrrole (PubChem CID 4570712) has the molecular formula C12H11N and a molecular weight of 169.23 g/mol. Its IUPAC name is 1-ethenyl-2-phenylpyrrole.

Molecular Properties

Compound Name1-ethenyl-2-phenylpyrrole
PubChem CID4570712
Molecular FormulaC12H11N
Molecular Weight169.23 g/mol
Exact Mass169.09
IUPAC Name1-ethenyl-2-phenylpyrrole
SMILESC=Cn1cccc1-c1ccccc1
InChIInChI=1S/C12H11N/c1-2-13-10-6-9-12(13)11-7-4-3-5-8-11/h2-10H,1H2
InChIKeyMPYQQNLHTLYXNA-UHFFFAOYSA-N
XLogP3.26
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Nicotine
CID 89594
Triprolidine
CID 5282443
(+-)-Dimethindene
CID 21855
Nornicotine
CID 91462
3-(1-Methylpyrrolidin-2-yl)pyridine
CID 942
Quinoline
CID 7047
Pheniramine
CID 4761
3-(Pyrrolidin-2-yl)pyridine
CID 412
5,5'-Dimethyl-2,2'-bipyridyl
CID 15664
Myosmine
CID 442649
Triprolidine Hydrochloride Anhydrous
CID 5702129
N-Nitrosonornicotine
CID 12613538

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-phenylpyrrole?
The IUPAC name of 1-ethenyl-2-phenylpyrrole (CID 4570712) is 1-ethenyl-2-phenylpyrrole.
What is the SMILES notation for 1-ethenyl-2-phenylpyrrole?
The canonical SMILES for 1-ethenyl-2-phenylpyrrole is C=Cn1cccc1-c1ccccc1.
What is the InChIKey of 1-ethenyl-2-phenylpyrrole?
The InChIKey is MPYQQNLHTLYXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N/c1-2-13-10-6-9-12(13)11-7-4-3-5-8-11/h2-10H,1H2.
What are the key properties of 1-ethenyl-2-phenylpyrrole?
1-ethenyl-2-phenylpyrrole has a molecular weight of 169.23 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-phenylpyrrole is sourced from PubChem (CID 4570712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).