ethyl 1-(cyclopentylmethyl)pyrrole-2-carboxylate

C13H19NO2 — CID 105422013

IUPACethyl 1-(cyclopentylmethyl)pyrrole-2-carboxylate
SMILESCCOC(=O)c1cccn1CC1CCCC1
InChIInChI=1S/C13H19NO2/c1-2-16-13(15)12-8-5-9-14(12)10-11-6-3-4-7-11/h5,8-9,11H,2-4,6-7,10H2,1H3
InChIKeyJJAFJAJJNPIRPV-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.86
Rot. Bonds4

About ethyl 1-(cyclopentylmethyl)pyrrole-2-carboxylate

ethyl 1-(cyclopentylmethyl)pyrrole-2-carboxylate (PubChem CID 105422013) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is ethyl 1-(cyclopentylmethyl)pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(cyclopentylmethyl)pyrrole-2-carboxylate
PubChem CID105422013
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Nameethyl 1-(cyclopentylmethyl)pyrrole-2-carboxylate
SMILESCCOC(=O)c1cccn1CC1CCCC1
InChIInChI=1S/C13H19NO2/c1-2-16-13(15)12-8-5-9-14(12)10-11-6-3-4-7-11/h5,8-9,11H,2-4,6-7,10H2,1H3
InChIKeyJJAFJAJJNPIRPV-UHFFFAOYSA-N
XLogP2.86
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4,4-difluoro-3-methylbut-3-enyl) 1-(cyclopropylmethyl)pyrrole-2-carboxylate
CID 69178989
ethyl 1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrole-2-carboxylate
CID 102604479
ethyl 1-[2-(azepan-1-yl)-2-oxoethyl]pyrrole-2-carboxylate
CID 102604458
ethyl 1-(2-methylbutyl)pyrrole-2-carboxylate
CID 102604439
methyl 1-[(1-tert-butylpiperidin-4-yl)methyl]pyrrole-2-carboxylate
CID 175743110
ethyl 1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrole-2-carboxylate
CID 105422100
ethyl 1-[2-(diethylamino)ethyl]pyrrole-2-carboxylate
CID 105422054
5-(2-ethoxycarbonylpyrrol-1-yl)pentanoic acid
CID 83793284
ethyl 1-[2-(2-hydroxyethoxy)ethyl]pyrrole-2-carboxylate
CID 105422074
ethyl 1-[[4-(aminomethyl)phenyl]methyl]pyrrole-2-carboxylate
CID 71537103
ethyl 1-[2-(cyclopenten-1-yl)-2-oxoethyl]pyrrole-2-carboxylate
CID 126620034
ethyl 1-[3-(dimethylamino)propyl]pyrrole-2-carboxylate
CID 105422127

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(cyclopentylmethyl)pyrrole-2-carboxylate?
The IUPAC name of ethyl 1-(cyclopentylmethyl)pyrrole-2-carboxylate (CID 105422013) is ethyl 1-(cyclopentylmethyl)pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 1-(cyclopentylmethyl)pyrrole-2-carboxylate?
The canonical SMILES for ethyl 1-(cyclopentylmethyl)pyrrole-2-carboxylate is CCOC(=O)c1cccn1CC1CCCC1.
What is the InChIKey of ethyl 1-(cyclopentylmethyl)pyrrole-2-carboxylate?
The InChIKey is JJAFJAJJNPIRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-2-16-13(15)12-8-5-9-14(12)10-11-6-3-4-7-11/h5,8-9,11H,2-4,6-7,10H2,1H3.
What are the key properties of ethyl 1-(cyclopentylmethyl)pyrrole-2-carboxylate?
ethyl 1-(cyclopentylmethyl)pyrrole-2-carboxylate has a molecular weight of 221.30 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(cyclopentylmethyl)pyrrole-2-carboxylate is sourced from PubChem (CID 105422013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).