methyl 4-(methoxymethyl)-2,3-dihydropyrrole-4-carboxylate

C8H13NO3 — CID 143488472

IUPACmethyl 4-(methoxymethyl)-2,3-dihydropyrrole-4-carboxylate
SMILESCOCC1(C(=O)OC)C=NCC1
InChIInChI=1S/C8H13NO3/c1-11-6-8(7(10)12-2)3-4-9-5-8/h5H,3-4,6H2,1-2H3
InChIKeyMXGZKFCFJUCMQF-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.27
Rot. Bonds3

About methyl 4-(methoxymethyl)-2,3-dihydropyrrole-4-carboxylate

methyl 4-(methoxymethyl)-2,3-dihydropyrrole-4-carboxylate (PubChem CID 143488472) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is methyl 4-(methoxymethyl)-2,3-dihydropyrrole-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-(methoxymethyl)-2,3-dihydropyrrole-4-carboxylate
PubChem CID143488472
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Namemethyl 4-(methoxymethyl)-2,3-dihydropyrrole-4-carboxylate
SMILESCOCC1(C(=O)OC)C=NCC1
InChIInChI=1S/C8H13NO3/c1-11-6-8(7(10)12-2)3-4-9-5-8/h5H,3-4,6H2,1-2H3
InChIKeyMXGZKFCFJUCMQF-UHFFFAOYSA-N
XLogP0.27
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(methoxymethyl)-2,3-dihydropyrrole-4-carboxylate?
The IUPAC name of methyl 4-(methoxymethyl)-2,3-dihydropyrrole-4-carboxylate (CID 143488472) is methyl 4-(methoxymethyl)-2,3-dihydropyrrole-4-carboxylate.
What is the SMILES notation for methyl 4-(methoxymethyl)-2,3-dihydropyrrole-4-carboxylate?
The canonical SMILES for methyl 4-(methoxymethyl)-2,3-dihydropyrrole-4-carboxylate is COCC1(C(=O)OC)C=NCC1.
What is the InChIKey of methyl 4-(methoxymethyl)-2,3-dihydropyrrole-4-carboxylate?
The InChIKey is MXGZKFCFJUCMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-11-6-8(7(10)12-2)3-4-9-5-8/h5H,3-4,6H2,1-2H3.
What are the key properties of methyl 4-(methoxymethyl)-2,3-dihydropyrrole-4-carboxylate?
methyl 4-(methoxymethyl)-2,3-dihydropyrrole-4-carboxylate has a molecular weight of 171.20 g/mol, XLogP of 0.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(methoxymethyl)-2,3-dihydropyrrole-4-carboxylate is sourced from PubChem (CID 143488472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).