ethyl 1-(cyclopropylmethyl)-5-(phenylcarbamoyl)pyrrole-2-carboxylate

C18H20N2O3 — CID 130366790

IUPACethyl 1-(cyclopropylmethyl)-5-(phenylcarbamoyl)pyrrole-2-carboxylate
SMILESCCOC(=O)c1ccc(C(=O)Nc2ccccc2)n1CC1CC1
InChIInChI=1S/C18H20N2O3/c1-2-23-18(22)16-11-10-15(20(16)12-13-8-9-13)17(21)19-14-6-4-3-5-7-14/h3-7,10-11,13H,2,8-9,12H2,1H3,(H,19,21)
InChIKeySCMBLGCWAFXHAY-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.33
Rot. Bonds6

About ethyl 1-(cyclopropylmethyl)-5-(phenylcarbamoyl)pyrrole-2-carboxylate

ethyl 1-(cyclopropylmethyl)-5-(phenylcarbamoyl)pyrrole-2-carboxylate (PubChem CID 130366790) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is ethyl 1-(cyclopropylmethyl)-5-(phenylcarbamoyl)pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(cyclopropylmethyl)-5-(phenylcarbamoyl)pyrrole-2-carboxylate
PubChem CID130366790
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Nameethyl 1-(cyclopropylmethyl)-5-(phenylcarbamoyl)pyrrole-2-carboxylate
SMILESCCOC(=O)c1ccc(C(=O)Nc2ccccc2)n1CC1CC1
InChIInChI=1S/C18H20N2O3/c1-2-23-18(22)16-11-10-15(20(16)12-13-8-9-13)17(21)19-14-6-4-3-5-7-14/h3-7,10-11,13H,2,8-9,12H2,1H3,(H,19,21)
InChIKeySCMBLGCWAFXHAY-UHFFFAOYSA-N
XLogP3.33
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 4165367
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CID 2118393
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CID 2475956
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CID 2526458
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CID 71087291
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CID 89726177
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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(cyclopropylmethyl)-5-(phenylcarbamoyl)pyrrole-2-carboxylate?
The IUPAC name of ethyl 1-(cyclopropylmethyl)-5-(phenylcarbamoyl)pyrrole-2-carboxylate (CID 130366790) is ethyl 1-(cyclopropylmethyl)-5-(phenylcarbamoyl)pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 1-(cyclopropylmethyl)-5-(phenylcarbamoyl)pyrrole-2-carboxylate?
The canonical SMILES for ethyl 1-(cyclopropylmethyl)-5-(phenylcarbamoyl)pyrrole-2-carboxylate is CCOC(=O)c1ccc(C(=O)Nc2ccccc2)n1CC1CC1.
What is the InChIKey of ethyl 1-(cyclopropylmethyl)-5-(phenylcarbamoyl)pyrrole-2-carboxylate?
The InChIKey is SCMBLGCWAFXHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-2-23-18(22)16-11-10-15(20(16)12-13-8-9-13)17(21)19-14-6-4-3-5-7-14/h3-7,10-11,13H,2,8-9,12H2,1H3,(H,19,21).
What are the key properties of ethyl 1-(cyclopropylmethyl)-5-(phenylcarbamoyl)pyrrole-2-carboxylate?
ethyl 1-(cyclopropylmethyl)-5-(phenylcarbamoyl)pyrrole-2-carboxylate has a molecular weight of 312.37 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(cyclopropylmethyl)-5-(phenylcarbamoyl)pyrrole-2-carboxylate is sourced from PubChem (CID 130366790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).