methyl 5-methoxy-3,4-dihydro-2H-pyrrole-3-carboxylate

C7H11NO3 — CID 167715771

IUPACmethyl 5-methoxy-3,4-dihydro-2H-pyrrole-3-carboxylate
SMILESCOC(=O)C1CN=C(OC)C1
InChIInChI=1S/C7H11NO3/c1-10-6-3-5(4-8-6)7(9)11-2/h5H,3-4H2,1-2H3
InChIKeyJGERSIMTYFKSKH-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.22
Rot. Bonds1

About methyl 5-methoxy-3,4-dihydro-2H-pyrrole-3-carboxylate

methyl 5-methoxy-3,4-dihydro-2H-pyrrole-3-carboxylate (PubChem CID 167715771) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is methyl 5-methoxy-3,4-dihydro-2H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-methoxy-3,4-dihydro-2H-pyrrole-3-carboxylate
PubChem CID167715771
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Namemethyl 5-methoxy-3,4-dihydro-2H-pyrrole-3-carboxylate
SMILESCOC(=O)C1CN=C(OC)C1
InChIInChI=1S/C7H11NO3/c1-10-6-3-5(4-8-6)7(9)11-2/h5H,3-4H2,1-2H3
InChIKeyJGERSIMTYFKSKH-UHFFFAOYSA-N
XLogP0.22
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methoxy-3,4-dihydro-2H-pyrrole-3-carboxylate?
The IUPAC name of methyl 5-methoxy-3,4-dihydro-2H-pyrrole-3-carboxylate (CID 167715771) is methyl 5-methoxy-3,4-dihydro-2H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 5-methoxy-3,4-dihydro-2H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 5-methoxy-3,4-dihydro-2H-pyrrole-3-carboxylate is COC(=O)C1CN=C(OC)C1.
What is the InChIKey of methyl 5-methoxy-3,4-dihydro-2H-pyrrole-3-carboxylate?
The InChIKey is JGERSIMTYFKSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-10-6-3-5(4-8-6)7(9)11-2/h5H,3-4H2,1-2H3.
What are the key properties of methyl 5-methoxy-3,4-dihydro-2H-pyrrole-3-carboxylate?
methyl 5-methoxy-3,4-dihydro-2H-pyrrole-3-carboxylate has a molecular weight of 157.17 g/mol, XLogP of 0.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methoxy-3,4-dihydro-2H-pyrrole-3-carboxylate is sourced from PubChem (CID 167715771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).