methyl 1-(2-hydroxyethyl)-3,5-dimethylpyrrole-2-carboxylate

C10H15NO3 — CID 112709807

IUPACmethyl 1-(2-hydroxyethyl)-3,5-dimethylpyrrole-2-carboxylate
SMILESCOC(=O)c1c(C)cc(C)n1CCO
InChIInChI=1S/C10H15NO3/c1-7-6-8(2)11(4-5-12)9(7)10(13)14-3/h6,12H,4-5H2,1-3H3
InChIKeyVMHUMRGIPXRQAC-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.88
Rot. Bonds3

About methyl 1-(2-hydroxyethyl)-3,5-dimethylpyrrole-2-carboxylate

methyl 1-(2-hydroxyethyl)-3,5-dimethylpyrrole-2-carboxylate (PubChem CID 112709807) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is methyl 1-(2-hydroxyethyl)-3,5-dimethylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-hydroxyethyl)-3,5-dimethylpyrrole-2-carboxylate
PubChem CID112709807
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Namemethyl 1-(2-hydroxyethyl)-3,5-dimethylpyrrole-2-carboxylate
SMILESCOC(=O)c1c(C)cc(C)n1CCO
InChIInChI=1S/C10H15NO3/c1-7-6-8(2)11(4-5-12)9(7)10(13)14-3/h6,12H,4-5H2,1-3H3
InChIKeyVMHUMRGIPXRQAC-UHFFFAOYSA-N
XLogP0.88
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3,5-dimethyl-1-(2-oxopropyl)pyrrole-2-carboxylate
CID 112710159
methyl 1,3-bis(2-hydroxyethyl)-2-methylbenzimidazol-1-ium-5-carboxylate chloride
CID 2857909
methyl 5-(1-aminopropan-2-yl)-1,3-dimethylpyrrole-2-carboxylate
CID 112713844
methyl 5-chlorosulfonyl-1,3-dimethylpyrrole-2-carboxylate
CID 83825436
ethane;ethyl 1,3,5-trimethylpyrrole-2-carboxylate
CID 155705747
5-methoxycarbonyl-1,3-dimethylpyrrole-2-carboxylic acid
CID 13179844
1,3-bis(2-hydroxyethyl)-6-methylpyrimidine-2,4-dione
CID 2783724
methyl 5-(2-hydroxyethyl)-2,3-dimethylbenzoate
CID 66956173
methyl 1-(2-hydroxyethyl)pyrrole-2-carboxylate
CID 83827100
methyl 6-chloro-1-(2-hydroxyethyl)-5-methylindole-3-carboxylate
CID 83947420
3,5-dimethyl-1-prop-2-ynylpyrrole-2-carboxylic acid
CID 84616653
methyl 5-(2-hydroxyethyl)-2,4-dimethylbenzoate
CID 117297589

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-hydroxyethyl)-3,5-dimethylpyrrole-2-carboxylate?
The IUPAC name of methyl 1-(2-hydroxyethyl)-3,5-dimethylpyrrole-2-carboxylate (CID 112709807) is methyl 1-(2-hydroxyethyl)-3,5-dimethylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 1-(2-hydroxyethyl)-3,5-dimethylpyrrole-2-carboxylate?
The canonical SMILES for methyl 1-(2-hydroxyethyl)-3,5-dimethylpyrrole-2-carboxylate is COC(=O)c1c(C)cc(C)n1CCO.
What is the InChIKey of methyl 1-(2-hydroxyethyl)-3,5-dimethylpyrrole-2-carboxylate?
The InChIKey is VMHUMRGIPXRQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-7-6-8(2)11(4-5-12)9(7)10(13)14-3/h6,12H,4-5H2,1-3H3.
What are the key properties of methyl 1-(2-hydroxyethyl)-3,5-dimethylpyrrole-2-carboxylate?
methyl 1-(2-hydroxyethyl)-3,5-dimethylpyrrole-2-carboxylate has a molecular weight of 197.23 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-hydroxyethyl)-3,5-dimethylpyrrole-2-carboxylate is sourced from PubChem (CID 112709807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).