1-ethenyl-5-phenylpyrrole-2-carboxylate

C13H10NO2- — CID 4228674

IUPAC1-ethenyl-5-phenylpyrrole-2-carboxylate
SMILESC=Cn1c(C(=O)[O-])ccc1-c1ccccc1
InChIInChI=1S/C13H11NO2/c1-2-14-11(8-9-12(14)13(15)16)10-6-4-3-5-7-10/h2-9H,1H2,(H,15,16)/p-1
InChIKeyPVDKQFBRJFNBLM-UHFFFAOYSA-M
MW212.23 g/mol
LogP1.62
Rot. Bonds3

About 1-ethenyl-5-phenylpyrrole-2-carboxylate

1-ethenyl-5-phenylpyrrole-2-carboxylate (PubChem CID 4228674) has the molecular formula C13H10NO2- and a molecular weight of 212.23 g/mol. Its IUPAC name is 1-ethenyl-5-phenylpyrrole-2-carboxylate.

Molecular Properties

Compound Name1-ethenyl-5-phenylpyrrole-2-carboxylate
PubChem CID4228674
Molecular FormulaC13H10NO2-
Molecular Weight212.23 g/mol
Exact Mass212.07
IUPAC Name1-ethenyl-5-phenylpyrrole-2-carboxylate
SMILESC=Cn1c(C(=O)[O-])ccc1-c1ccccc1
InChIInChI=1S/C13H11NO2/c1-2-14-11(8-9-12(14)13(15)16)10-6-4-3-5-7-10/h2-9H,1H2,(H,15,16)/p-1
InChIKeyPVDKQFBRJFNBLM-UHFFFAOYSA-M
XLogP1.62
TPSA45.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethenyl-4-pentyl-5-phenylpyrrole-2-carboxylate
CID 4576846
bis(1,1'-biphenyl);carbonate
CID 23514328
N-(3-ethenyl-4-phenyl-1,3-thiazol-2-ylidene)benzamide
CID 118411247
1-(2-hydroxyethyl)-5-phenylpyrrole-2-carboxylic acid
CID 82082001
prop-1-ene;titanium(4+);tetrabenzoate
CID 173022113
1,1'-biphenyl;palladium(2+);diacetate
CID 173036521
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CID 67748606
oxalate;tetraphenylstannane;tin(4+)
CID 161101615
sodium;formaldehyde;benzoate
CID 159976581
lithium;prop-2-enoate;styrene
CID 163806706
disodium;4,5-diphenylphthalate
CID 134868371
azanium benzoate
CID 15830

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-5-phenylpyrrole-2-carboxylate?
The IUPAC name of 1-ethenyl-5-phenylpyrrole-2-carboxylate (CID 4228674) is 1-ethenyl-5-phenylpyrrole-2-carboxylate.
What is the SMILES notation for 1-ethenyl-5-phenylpyrrole-2-carboxylate?
The canonical SMILES for 1-ethenyl-5-phenylpyrrole-2-carboxylate is C=Cn1c(C(=O)[O-])ccc1-c1ccccc1.
What is the InChIKey of 1-ethenyl-5-phenylpyrrole-2-carboxylate?
The InChIKey is PVDKQFBRJFNBLM-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H11NO2/c1-2-14-11(8-9-12(14)13(15)16)10-6-4-3-5-7-10/h2-9H,1H2,(H,15,16)/p-1.
What are the key properties of 1-ethenyl-5-phenylpyrrole-2-carboxylate?
1-ethenyl-5-phenylpyrrole-2-carboxylate has a molecular weight of 212.23 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-5-phenylpyrrole-2-carboxylate is sourced from PubChem (CID 4228674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).