ethyl 4-methyl-3-propan-2-yl-1H-pyrrole-2-carboxylate

C11H17NO2 — CID 10965427

IUPACethyl 4-methyl-3-propan-2-yl-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]cc(C)c1C(C)C
InChIInChI=1S/C11H17NO2/c1-5-14-11(13)10-9(7(2)3)8(4)6-12-10/h6-7,12H,5H2,1-4H3
InChIKeyAPGHIXGDRUDCDJ-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.62
Rot. Bonds3

About ethyl 4-methyl-3-propan-2-yl-1H-pyrrole-2-carboxylate

ethyl 4-methyl-3-propan-2-yl-1H-pyrrole-2-carboxylate (PubChem CID 10965427) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is ethyl 4-methyl-3-propan-2-yl-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-3-propan-2-yl-1H-pyrrole-2-carboxylate
PubChem CID10965427
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Nameethyl 4-methyl-3-propan-2-yl-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]cc(C)c1C(C)C
InChIInChI=1S/C11H17NO2/c1-5-14-11(13)10-9(7(2)3)8(4)6-12-10/h6-7,12H,5H2,1-4H3
InChIKeyAPGHIXGDRUDCDJ-UHFFFAOYSA-N
XLogP2.62
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-methyl-3-[2,4,6-tri(propan-2-yl)phenyl]-1H-pyrrole-2-carboxylate
CID 11002759
ethyl 3,4-dichloro-1H-pyrrole-2-carboxylate
CID 130007030
ethyl 4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclododeca[c]pyrrole-3-carboxylate
CID 155195606
ethyl 5-(aminomethyl)-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxylate
CID 133102494
ethyl 3,4-difluoro-1H-pyrrole-2-carboxylate
CID 164851464
diethyl 5-formyl-3-propan-2-yl-1H-pyrrole-2,4-dicarboxylate
CID 91392607
ethyl 3-fluoro-4-iodo-1H-pyrrole-2-carboxylate
CID 155367743
ethyl 5-methyl-3-propan-2-yl-1H-pyrrole-2-carboxylate
CID 14657234
ethyl 4-bromo-1H-pyrrole-2-carboxylate
CID 5324607
ethyl 2-(4-bromophenyl)-4-methyl-1H-pyrrole-3-carboxylate
CID 53254198
ethyl 2H-phenanthro[9,10-c]pyrrole-3-carboxylate
CID 15639090
ethyl 4-butyl-3-methyl-1H-pyrrole-2-carboxylate
CID 10878397

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-3-propan-2-yl-1H-pyrrole-2-carboxylate?
The IUPAC name of ethyl 4-methyl-3-propan-2-yl-1H-pyrrole-2-carboxylate (CID 10965427) is ethyl 4-methyl-3-propan-2-yl-1H-pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-methyl-3-propan-2-yl-1H-pyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-methyl-3-propan-2-yl-1H-pyrrole-2-carboxylate is CCOC(=O)c1[nH]cc(C)c1C(C)C.
What is the InChIKey of ethyl 4-methyl-3-propan-2-yl-1H-pyrrole-2-carboxylate?
The InChIKey is APGHIXGDRUDCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-5-14-11(13)10-9(7(2)3)8(4)6-12-10/h6-7,12H,5H2,1-4H3.
What are the key properties of ethyl 4-methyl-3-propan-2-yl-1H-pyrrole-2-carboxylate?
ethyl 4-methyl-3-propan-2-yl-1H-pyrrole-2-carboxylate has a molecular weight of 195.26 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-3-propan-2-yl-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 10965427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).