methyl (2R)-2-methyl-2,3-dihydropyrrole-1-carboxylate

C7H11NO2 — CID 45089933

IUPACmethyl (2R)-2-methyl-2,3-dihydropyrrole-1-carboxylate
SMILESCOC(=O)N1C=CC[C@H]1C
InChIInChI=1S/C7H11NO2/c1-6-4-3-5-8(6)7(9)10-2/h3,5-6H,4H2,1-2H3/t6-/m1/s1
InChIKeyMBWSNYGRYRIOQZ-ZCFIWIBFSA-N
MW141.17 g/mol
LogP1.36
Rot. Bonds

About methyl (2R)-2-methyl-2,3-dihydropyrrole-1-carboxylate

methyl (2R)-2-methyl-2,3-dihydropyrrole-1-carboxylate (PubChem CID 45089933) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is methyl (2R)-2-methyl-2,3-dihydropyrrole-1-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-2-methyl-2,3-dihydropyrrole-1-carboxylate
PubChem CID45089933
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Namemethyl (2R)-2-methyl-2,3-dihydropyrrole-1-carboxylate
SMILESCOC(=O)N1C=CC[C@H]1C
InChIInChI=1S/C7H11NO2/c1-6-4-3-5-8(6)7(9)10-2/h3,5-6H,4H2,1-2H3/t6-/m1/s1
InChIKeyMBWSNYGRYRIOQZ-ZCFIWIBFSA-N
XLogP1.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-methyl-2,3-dihydropyrrole-1-carboxylate?
The IUPAC name of methyl (2R)-2-methyl-2,3-dihydropyrrole-1-carboxylate (CID 45089933) is methyl (2R)-2-methyl-2,3-dihydropyrrole-1-carboxylate.
What is the SMILES notation for methyl (2R)-2-methyl-2,3-dihydropyrrole-1-carboxylate?
The canonical SMILES for methyl (2R)-2-methyl-2,3-dihydropyrrole-1-carboxylate is COC(=O)N1C=CC[C@H]1C.
What is the InChIKey of methyl (2R)-2-methyl-2,3-dihydropyrrole-1-carboxylate?
The InChIKey is MBWSNYGRYRIOQZ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H11NO2/c1-6-4-3-5-8(6)7(9)10-2/h3,5-6H,4H2,1-2H3/t6-/m1/s1.
What are the key properties of methyl (2R)-2-methyl-2,3-dihydropyrrole-1-carboxylate?
methyl (2R)-2-methyl-2,3-dihydropyrrole-1-carboxylate has a molecular weight of 141.17 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-methyl-2,3-dihydropyrrole-1-carboxylate is sourced from PubChem (CID 45089933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).