methyl 2-methyl-2-pyrrol-1-ylcyclopropane-1-carboxylate

C10H13NO2 — CID 134918882

IUPACmethyl 2-methyl-2-pyrrol-1-ylcyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1(C)n1cccc1
InChIInChI=1S/C10H13NO2/c1-10(11-5-3-4-6-11)7-8(10)9(12)13-2/h3-6,8H,7H2,1-2H3
InChIKeyBABWFWCDZOCRHS-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.40
Rot. Bonds2

About methyl 2-methyl-2-pyrrol-1-ylcyclopropane-1-carboxylate

methyl 2-methyl-2-pyrrol-1-ylcyclopropane-1-carboxylate (PubChem CID 134918882) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is methyl 2-methyl-2-pyrrol-1-ylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-2-pyrrol-1-ylcyclopropane-1-carboxylate
PubChem CID134918882
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Namemethyl 2-methyl-2-pyrrol-1-ylcyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1(C)n1cccc1
InChIInChI=1S/C10H13NO2/c1-10(11-5-3-4-6-11)7-8(10)9(12)13-2/h3-6,8H,7H2,1-2H3
InChIKeyBABWFWCDZOCRHS-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-pyrrol-1-ylcyclopropane-1-carboxylate?
The IUPAC name of methyl 2-methyl-2-pyrrol-1-ylcyclopropane-1-carboxylate (CID 134918882) is methyl 2-methyl-2-pyrrol-1-ylcyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-methyl-2-pyrrol-1-ylcyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-methyl-2-pyrrol-1-ylcyclopropane-1-carboxylate is COC(=O)C1CC1(C)n1cccc1.
What is the InChIKey of methyl 2-methyl-2-pyrrol-1-ylcyclopropane-1-carboxylate?
The InChIKey is BABWFWCDZOCRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-10(11-5-3-4-6-11)7-8(10)9(12)13-2/h3-6,8H,7H2,1-2H3.
What are the key properties of methyl 2-methyl-2-pyrrol-1-ylcyclopropane-1-carboxylate?
methyl 2-methyl-2-pyrrol-1-ylcyclopropane-1-carboxylate has a molecular weight of 179.22 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-pyrrol-1-ylcyclopropane-1-carboxylate is sourced from PubChem (CID 134918882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).