ethyl 2-[(E)-2-(2-methylphenyl)ethenyl]pyrrole-1-carboxylate

C16H17NO2 — CID 10923114

IUPACethyl 2-[(E)-2-(2-methylphenyl)ethenyl]pyrrole-1-carboxylate
SMILESCCOC(=O)n1cccc1/C=C/c1ccccc1C
InChIInChI=1S/C16H17NO2/c1-3-19-16(18)17-12-6-9-15(17)11-10-14-8-5-4-7-13(14)2/h4-12H,3H2,1-2H3/b11-10+
InChIKeyRQLGBNVBVUHXSX-ZHACJKMWSA-N
MW255.32 g/mol
LogP3.97
Rot. Bonds3

About ethyl 2-[(E)-2-(2-methylphenyl)ethenyl]pyrrole-1-carboxylate

ethyl 2-[(E)-2-(2-methylphenyl)ethenyl]pyrrole-1-carboxylate (PubChem CID 10923114) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is ethyl 2-[(E)-2-(2-methylphenyl)ethenyl]pyrrole-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(E)-2-(2-methylphenyl)ethenyl]pyrrole-1-carboxylate
PubChem CID10923114
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Nameethyl 2-[(E)-2-(2-methylphenyl)ethenyl]pyrrole-1-carboxylate
SMILESCCOC(=O)n1cccc1/C=C/c1ccccc1C
InChIInChI=1S/C16H17NO2/c1-3-19-16(18)17-12-6-9-15(17)11-10-14-8-5-4-7-13(14)2/h4-12H,3H2,1-2H3/b11-10+
InChIKeyRQLGBNVBVUHXSX-ZHACJKMWSA-N
XLogP3.97
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(E)-2-(2-methylphenyl)ethenyl]pyrrol-1-yl]ethanone
CID 101223052
ethyl 2-methylpyrrole-1-carboxylate
CID 89052095
ethyl 4-(2-methylphenyl)but-3-enoate
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diethyl 3-methyl-4-[(Z)-2-(2-methylphenyl)ethenyl]cyclopent-3-ene-1,1-dicarboxylate
CID 24949820
ethyl (Z)-2-amino-3-(2-methylphenyl)prop-2-enoate
CID 12904653
[2-(carbamoylamino)-2-oxoethyl] (E)-3-(2-methylphenyl)prop-2-enoate
CID 7849728
ethyl 2-[(2-methylphenyl)methylideneamino]acetate
CID 15468535
(2-benzamido-2-oxoethyl) (E)-3-(2-methylphenyl)prop-2-enoate
CID 7849819
ethyl N-[(E)-(2-methylphenyl)methylideneamino]carbamate
CID 6861612
benzyl (E)-3-(2-methylphenyl)prop-2-enoate
CID 16742105
methyl N-[2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]carbamate
CID 20667567
ethyl 3-[(E)-2-(2-chlorophenyl)ethenyl]indolizine-1-carboxylate
CID 142749731

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(E)-2-(2-methylphenyl)ethenyl]pyrrole-1-carboxylate?
The IUPAC name of ethyl 2-[(E)-2-(2-methylphenyl)ethenyl]pyrrole-1-carboxylate (CID 10923114) is ethyl 2-[(E)-2-(2-methylphenyl)ethenyl]pyrrole-1-carboxylate.
What is the SMILES notation for ethyl 2-[(E)-2-(2-methylphenyl)ethenyl]pyrrole-1-carboxylate?
The canonical SMILES for ethyl 2-[(E)-2-(2-methylphenyl)ethenyl]pyrrole-1-carboxylate is CCOC(=O)n1cccc1/C=C/c1ccccc1C.
What is the InChIKey of ethyl 2-[(E)-2-(2-methylphenyl)ethenyl]pyrrole-1-carboxylate?
The InChIKey is RQLGBNVBVUHXSX-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H17NO2/c1-3-19-16(18)17-12-6-9-15(17)11-10-14-8-5-4-7-13(14)2/h4-12H,3H2,1-2H3/b11-10+.
What are the key properties of ethyl 2-[(E)-2-(2-methylphenyl)ethenyl]pyrrole-1-carboxylate?
ethyl 2-[(E)-2-(2-methylphenyl)ethenyl]pyrrole-1-carboxylate has a molecular weight of 255.32 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(E)-2-(2-methylphenyl)ethenyl]pyrrole-1-carboxylate is sourced from PubChem (CID 10923114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).