methyl 2-phenyl-2-pyrrol-1-ylcyclopropane-1-carboxylate

C15H15NO2 — CID 134918881

IUPACmethyl 2-phenyl-2-pyrrol-1-ylcyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1(c1ccccc1)n1cccc1
InChIInChI=1S/C15H15NO2/c1-18-14(17)13-11-15(13,16-9-5-6-10-16)12-7-3-2-4-8-12/h2-10,13H,11H2,1H3
InChIKeyULCBFWNCIHFPBQ-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.42
Rot. Bonds3

About methyl 2-phenyl-2-pyrrol-1-ylcyclopropane-1-carboxylate

methyl 2-phenyl-2-pyrrol-1-ylcyclopropane-1-carboxylate (PubChem CID 134918881) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is methyl 2-phenyl-2-pyrrol-1-ylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-phenyl-2-pyrrol-1-ylcyclopropane-1-carboxylate
PubChem CID134918881
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Namemethyl 2-phenyl-2-pyrrol-1-ylcyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1(c1ccccc1)n1cccc1
InChIInChI=1S/C15H15NO2/c1-18-14(17)13-11-15(13,16-9-5-6-10-16)12-7-3-2-4-8-12/h2-10,13H,11H2,1H3
InChIKeyULCBFWNCIHFPBQ-UHFFFAOYSA-N
XLogP2.42
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

trans-methyl (1R,2R)-2-cyano-2-phenylcyclopropane-1-carboxylate
CID 15565151
trans-dimethyl (1R,2R)-3,3-diphenylcyclopropane-1,2-dicarboxylate
CID 882276
dimethyl 5,5-diphenylpyrrolidine-2,4-dicarboxylate
CID 134612623
methyl (2S,3R)-2-methyl-5-oxo-2-phenyloxolane-3-carboxylate
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CID 85085864
methyl 2-benzyl-2-formylcyclopropane-1-carboxylate
CID 134986288
methyl (6R,8S)-8-methyl-5-oxo-8-phenyl-6,7-dihydroindolizine-6-carboxylate
CID 132536565
methyl (1R,2S,4S)-2-hydroxy-4-methyl-4-phenylcyclohexane-1-carboxylate
CID 98169124
cis-methyl (1S,2S)-2-hydroxy-4,6-dioxo-2-phenylcyclohexane-1-carboxylate
CID 165341801
tetramethyl 3a-methyl-2,5-dioxo-6a-phenyl-1,3,4,6-tetrahydropentalene-1,3,4,6-tetracarboxylate
CID 10647641
methyl (3S)-1-benzyl-5,5-difluoropiperidine-3-carboxylate
CID 97357046

Frequently Asked Questions

What is the IUPAC name of methyl 2-phenyl-2-pyrrol-1-ylcyclopropane-1-carboxylate?
The IUPAC name of methyl 2-phenyl-2-pyrrol-1-ylcyclopropane-1-carboxylate (CID 134918881) is methyl 2-phenyl-2-pyrrol-1-ylcyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-phenyl-2-pyrrol-1-ylcyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-phenyl-2-pyrrol-1-ylcyclopropane-1-carboxylate is COC(=O)C1CC1(c1ccccc1)n1cccc1.
What is the InChIKey of methyl 2-phenyl-2-pyrrol-1-ylcyclopropane-1-carboxylate?
The InChIKey is ULCBFWNCIHFPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-18-14(17)13-11-15(13,16-9-5-6-10-16)12-7-3-2-4-8-12/h2-10,13H,11H2,1H3.
What are the key properties of methyl 2-phenyl-2-pyrrol-1-ylcyclopropane-1-carboxylate?
methyl 2-phenyl-2-pyrrol-1-ylcyclopropane-1-carboxylate has a molecular weight of 241.29 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenyl-2-pyrrol-1-ylcyclopropane-1-carboxylate is sourced from PubChem (CID 134918881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).