methyl 2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]acetate

C11H15NO3 — CID 79104073

IUPACmethyl 2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]acetate
SMILESCOC(=O)Cn1ccc(C(O)C2CC2)c1
InChIInChI=1S/C11H15NO3/c1-15-10(13)7-12-5-4-9(6-12)11(14)8-2-3-8/h4-6,8,11,14H,2-3,7H2,1H3
InChIKeyTZQYFDPXXQSJOS-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.10
Rot. Bonds4

About methyl 2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]acetate

methyl 2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]acetate (PubChem CID 79104073) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is methyl 2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]acetate
PubChem CID79104073
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Namemethyl 2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]acetate
SMILESCOC(=O)Cn1ccc(C(O)C2CC2)c1
InChIInChI=1S/C11H15NO3/c1-15-10(13)7-12-5-4-9(6-12)11(14)8-2-3-8/h4-6,8,11,14H,2-3,7H2,1H3
InChIKeyTZQYFDPXXQSJOS-UHFFFAOYSA-N
XLogP1.10
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]acetate?
The IUPAC name of methyl 2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]acetate (CID 79104073) is methyl 2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]acetate?
The canonical SMILES for methyl 2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]acetate is COC(=O)Cn1ccc(C(O)C2CC2)c1.
What is the InChIKey of methyl 2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]acetate?
The InChIKey is TZQYFDPXXQSJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-15-10(13)7-12-5-4-9(6-12)11(14)8-2-3-8/h4-6,8,11,14H,2-3,7H2,1H3.
What are the key properties of methyl 2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]acetate?
methyl 2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]acetate has a molecular weight of 209.24 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]acetate is sourced from PubChem (CID 79104073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).