methanol;methyl 4-methyl-2,3-dihydro-1H-pyrrole-2-carboxylate

C8H15NO3 — CID 156837427

IUPACmethanol;methyl 4-methyl-2,3-dihydro-1H-pyrrole-2-carboxylate
SMILESCO.COC(=O)C1CC(C)=CN1
InChIInChI=1S/C7H11NO2.CH4O/c1-5-3-6(8-4-5)7(9)10-2;1-2/h4,6,8H,3H2,1-2H3;2H,1H3
InChIKeyVTPDEXTXICFQOR-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.03
Rot. Bonds1

About methanol;methyl 4-methyl-2,3-dihydro-1H-pyrrole-2-carboxylate

methanol;methyl 4-methyl-2,3-dihydro-1H-pyrrole-2-carboxylate (PubChem CID 156837427) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methanol;methyl 4-methyl-2,3-dihydro-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethanol;methyl 4-methyl-2,3-dihydro-1H-pyrrole-2-carboxylate
PubChem CID156837427
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethanol;methyl 4-methyl-2,3-dihydro-1H-pyrrole-2-carboxylate
SMILESCO.COC(=O)C1CC(C)=CN1
InChIInChI=1S/C7H11NO2.CH4O/c1-5-3-6(8-4-5)7(9)10-2;1-2/h4,6,8H,3H2,1-2H3;2H,1H3
InChIKeyVTPDEXTXICFQOR-UHFFFAOYSA-N
XLogP0.03
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-4-acetyl-2,3-dihydro-1H-pyrrole-2-carboxylate
CID 93498952
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methyl (2S)-aziridine-2-carboxylate
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trimethyl (2S,4R)-1,2,3,4-tetrahydropyridine-2,4,5-tricarboxylate
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CID 7163303
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ethyl (2S)-5-oxopyrrolidine-2-carboxylate;methyl (2S)-5-oxopyrrolidine-2-carboxylate
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methyl (3R)-7-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
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CID 130028820

Frequently Asked Questions

What is the IUPAC name of methanol;methyl 4-methyl-2,3-dihydro-1H-pyrrole-2-carboxylate?
The IUPAC name of methanol;methyl 4-methyl-2,3-dihydro-1H-pyrrole-2-carboxylate (CID 156837427) is methanol;methyl 4-methyl-2,3-dihydro-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methanol;methyl 4-methyl-2,3-dihydro-1H-pyrrole-2-carboxylate?
The canonical SMILES for methanol;methyl 4-methyl-2,3-dihydro-1H-pyrrole-2-carboxylate is CO.COC(=O)C1CC(C)=CN1.
What is the InChIKey of methanol;methyl 4-methyl-2,3-dihydro-1H-pyrrole-2-carboxylate?
The InChIKey is VTPDEXTXICFQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2.CH4O/c1-5-3-6(8-4-5)7(9)10-2;1-2/h4,6,8H,3H2,1-2H3;2H,1H3.
What are the key properties of methanol;methyl 4-methyl-2,3-dihydro-1H-pyrrole-2-carboxylate?
methanol;methyl 4-methyl-2,3-dihydro-1H-pyrrole-2-carboxylate has a molecular weight of 173.21 g/mol, XLogP of 0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;methyl 4-methyl-2,3-dihydro-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 156837427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).