methyl 1-cyclobutylpyrrole-2-carboxylate

C10H13NO2 — CID 114609410

IUPACmethyl 1-cyclobutylpyrrole-2-carboxylate
SMILESCOC(=O)c1cccn1C1CCC1
InChIInChI=1S/C10H13NO2/c1-13-10(12)9-6-3-7-11(9)8-4-2-5-8/h3,6-8H,2,4-5H2,1H3
InChIKeySQENXNNETUZDDI-UHFFFAOYSA-N
MW179.22 g/mol
LogP2.00
Rot. Bonds2

About methyl 1-cyclobutylpyrrole-2-carboxylate

methyl 1-cyclobutylpyrrole-2-carboxylate (PubChem CID 114609410) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is methyl 1-cyclobutylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-cyclobutylpyrrole-2-carboxylate
PubChem CID114609410
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Namemethyl 1-cyclobutylpyrrole-2-carboxylate
SMILESCOC(=O)c1cccn1C1CCC1
InChIInChI=1S/C10H13NO2/c1-13-10(12)9-6-3-7-11(9)8-4-2-5-8/h3,6-8H,2,4-5H2,1H3
InChIKeySQENXNNETUZDDI-UHFFFAOYSA-N
XLogP2.00
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-cyclobutyl-2-oxopyridine-3-carboxylate
CID 139390457
methyl 1-[1-(benzenesulfonyl)piperidin-4-yl]pyrrole-2-carboxylate
CID 51107428
methyl 1-(1-cyclobutylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate
CID 114610715
1-cyclopropyl-N-methoxypyrrole-2-carboxamide
CID 130688562
1-cyclobutyl-N-[2-(2-methoxyethylamino)ethyl]pyrrole-2-carboxamide
CID 114610635
methyl 2-[(1-cyclobutylpyrrole-2-carbonyl)amino]-3-hydroxypropanoate
CID 114610705
1-cyclohexylpyrrole-2-carboxamide
CID 150262171
methyl 1-[1-[[(1S)-1-cyclopropylethyl]-methylsulfamoyl]piperidin-4-yl]pyrrole-2-carboxylate
CID 95176876
2-[(1-cyclobutylpyrrole-2-carbonyl)-methylamino]acetic acid
CID 114608607
methyl 1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylate
CID 114612607
methyl 1-[1-(4-pentoxybenzoyl)piperidin-4-yl]pyrrole-2-carboxylate
CID 52845388
methyl 1-[(1S,3S)-3-hydroxycyclohexyl]-2-oxopyridine-3-carboxylate
CID 139373575

Frequently Asked Questions

What is the IUPAC name of methyl 1-cyclobutylpyrrole-2-carboxylate?
The IUPAC name of methyl 1-cyclobutylpyrrole-2-carboxylate (CID 114609410) is methyl 1-cyclobutylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 1-cyclobutylpyrrole-2-carboxylate?
The canonical SMILES for methyl 1-cyclobutylpyrrole-2-carboxylate is COC(=O)c1cccn1C1CCC1.
What is the InChIKey of methyl 1-cyclobutylpyrrole-2-carboxylate?
The InChIKey is SQENXNNETUZDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-13-10(12)9-6-3-7-11(9)8-4-2-5-8/h3,6-8H,2,4-5H2,1H3.
What are the key properties of methyl 1-cyclobutylpyrrole-2-carboxylate?
methyl 1-cyclobutylpyrrole-2-carboxylate has a molecular weight of 179.22 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-cyclobutylpyrrole-2-carboxylate is sourced from PubChem (CID 114609410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).