ethyl 1-[2-(cyclopenten-1-yl)-2-oxoethyl]pyrrole-2-carboxylate

C14H17NO3 — CID 126620034

IUPACethyl 1-[2-(cyclopenten-1-yl)-2-oxoethyl]pyrrole-2-carboxylate
SMILESCCOC(=O)c1cccn1CC(=O)C1=CCCC1
InChIInChI=1S/C14H17NO3/c1-2-18-14(17)12-8-5-9-15(12)10-13(16)11-6-3-4-7-11/h5-6,8-9H,2-4,7,10H2,1H3
InChIKeyDSTMYVPLJQQYLQ-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.34
Rot. Bonds5

About ethyl 1-[2-(cyclopenten-1-yl)-2-oxoethyl]pyrrole-2-carboxylate

ethyl 1-[2-(cyclopenten-1-yl)-2-oxoethyl]pyrrole-2-carboxylate (PubChem CID 126620034) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is ethyl 1-[2-(cyclopenten-1-yl)-2-oxoethyl]pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(cyclopenten-1-yl)-2-oxoethyl]pyrrole-2-carboxylate
PubChem CID126620034
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Nameethyl 1-[2-(cyclopenten-1-yl)-2-oxoethyl]pyrrole-2-carboxylate
SMILESCCOC(=O)c1cccn1CC(=O)C1=CCCC1
InChIInChI=1S/C14H17NO3/c1-2-18-14(17)12-8-5-9-15(12)10-13(16)11-6-3-4-7-11/h5-6,8-9H,2-4,7,10H2,1H3
InChIKeyDSTMYVPLJQQYLQ-UHFFFAOYSA-N
XLogP2.34
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[2-(azepan-1-yl)-2-oxoethyl]pyrrole-2-carboxylate
CID 102604458
ethyl 1-(cyclopentylmethyl)pyrrole-2-carboxylate
CID 105422013
ethyl 1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]pyrrole-2-carboxylate
CID 105421898
ethyl cycloundecene-1-carboxylate
CID 154164177
ethyl 1-(2-methylbutyl)pyrrole-2-carboxylate
CID 102604439
5-(2-ethoxycarbonylpyrrol-1-yl)pentanoic acid
CID 83793284
ethyl 1-[2-(2-hydroxyethoxy)ethyl]pyrrole-2-carboxylate
CID 105422074
ethyl 1-[2-(diethylamino)ethyl]pyrrole-2-carboxylate
CID 105422054
ethyl 1-[[4-(aminomethyl)phenyl]methyl]pyrrole-2-carboxylate
CID 71537103
ethyl 1-formylpyrrole-2-carboxylate
CID 69374156
ethyl 1-[3-(dimethylamino)propyl]pyrrole-2-carboxylate
CID 105422127
ethyl 1-[(2,6-dichlorophenyl)methyl]pyrrole-2-carboxylate
CID 105422030

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(cyclopenten-1-yl)-2-oxoethyl]pyrrole-2-carboxylate?
The IUPAC name of ethyl 1-[2-(cyclopenten-1-yl)-2-oxoethyl]pyrrole-2-carboxylate (CID 126620034) is ethyl 1-[2-(cyclopenten-1-yl)-2-oxoethyl]pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 1-[2-(cyclopenten-1-yl)-2-oxoethyl]pyrrole-2-carboxylate?
The canonical SMILES for ethyl 1-[2-(cyclopenten-1-yl)-2-oxoethyl]pyrrole-2-carboxylate is CCOC(=O)c1cccn1CC(=O)C1=CCCC1.
What is the InChIKey of ethyl 1-[2-(cyclopenten-1-yl)-2-oxoethyl]pyrrole-2-carboxylate?
The InChIKey is DSTMYVPLJQQYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-2-18-14(17)12-8-5-9-15(12)10-13(16)11-6-3-4-7-11/h5-6,8-9H,2-4,7,10H2,1H3.
What are the key properties of ethyl 1-[2-(cyclopenten-1-yl)-2-oxoethyl]pyrrole-2-carboxylate?
ethyl 1-[2-(cyclopenten-1-yl)-2-oxoethyl]pyrrole-2-carboxylate has a molecular weight of 247.29 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(cyclopenten-1-yl)-2-oxoethyl]pyrrole-2-carboxylate is sourced from PubChem (CID 126620034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).