ethyl 2-cyclopropyl-5-phenyl-1H-pyrrole-3-carboxylate

C16H17NO2 — CID 102028571

IUPACethyl 2-cyclopropyl-5-phenyl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)[nH]c1C1CC1
InChIInChI=1S/C16H17NO2/c1-2-19-16(18)13-10-14(11-6-4-3-5-7-11)17-15(13)12-8-9-12/h3-7,10,12,17H,2,8-9H2,1H3
InChIKeyFPCCVAVDBACKTK-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.74
Rot. Bonds4

About ethyl 2-cyclopropyl-5-phenyl-1H-pyrrole-3-carboxylate

ethyl 2-cyclopropyl-5-phenyl-1H-pyrrole-3-carboxylate (PubChem CID 102028571) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is ethyl 2-cyclopropyl-5-phenyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-cyclopropyl-5-phenyl-1H-pyrrole-3-carboxylate
PubChem CID102028571
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Nameethyl 2-cyclopropyl-5-phenyl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)[nH]c1C1CC1
InChIInChI=1S/C16H17NO2/c1-2-19-16(18)13-10-14(11-6-4-3-5-7-11)17-15(13)12-8-9-12/h3-7,10,12,17H,2,8-9H2,1H3
InChIKeyFPCCVAVDBACKTK-UHFFFAOYSA-N
XLogP3.74
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 5-[4-(dimethylamino)phenyl]-2-phenyl-1H-pyrrole-3-carboxylate
CID 170695559
ethyl 5-[4-(4-ethoxycarbonyl-5-methyl-1H-pyrrol-2-yl)phenyl]-2-methyl-1H-pyrrole-3-carboxylate
CID 135021728
ethyl 2-cyclopropylbenzoate
CID 118105330
ethyl 2-phenyl-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxylate
CID 170695775
ethyl 4-oxo-6-phenyl-1H-pyridine-3-carboxylate
CID 10332014
ethyl 5-(4-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrrole-3-carboxylate
CID 3851499
ethyl 2-amino-5-[4-(dimethylamino)phenyl]-1H-pyrrole-3-carboxylate
CID 82365141
ethyl 2-methyl-5-naphthalen-2-yl-1H-pyrrole-3-carboxylate
CID 135022067
ethyl 3-[5-(4-fluorophenyl)-1H-pyrrol-2-yl]-5-phenyl-1H-pyrrole-2-carboxylate
CID 164666178
2-O-amino 1-O-ethyl benzene-1,2-dicarboxylate
CID 154139708
ethyl 2-cyclopropyl-5H-pyrido[3,2-b]indole-4-carboxylate
CID 138968962
ethyl 2-amino-5-(3-methoxyphenyl)-1H-pyrrole-3-carboxylate
CID 23282732

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopropyl-5-phenyl-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 2-cyclopropyl-5-phenyl-1H-pyrrole-3-carboxylate (CID 102028571) is ethyl 2-cyclopropyl-5-phenyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 2-cyclopropyl-5-phenyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 2-cyclopropyl-5-phenyl-1H-pyrrole-3-carboxylate is CCOC(=O)c1cc(-c2ccccc2)[nH]c1C1CC1.
What is the InChIKey of ethyl 2-cyclopropyl-5-phenyl-1H-pyrrole-3-carboxylate?
The InChIKey is FPCCVAVDBACKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-2-19-16(18)13-10-14(11-6-4-3-5-7-11)17-15(13)12-8-9-12/h3-7,10,12,17H,2,8-9H2,1H3.
What are the key properties of ethyl 2-cyclopropyl-5-phenyl-1H-pyrrole-3-carboxylate?
ethyl 2-cyclopropyl-5-phenyl-1H-pyrrole-3-carboxylate has a molecular weight of 255.32 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopropyl-5-phenyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 102028571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).