tert-butyl 2-(methoxymethyl)-2,3-dihydropyrrole-1-carboxylate

C11H19NO3 — CID 144506560

IUPACtert-butyl 2-(methoxymethyl)-2,3-dihydropyrrole-1-carboxylate
SMILESCOCC1CC=CN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO3/c1-11(2,3)15-10(13)12-7-5-6-9(12)8-14-4/h5,7,9H,6,8H2,1-4H3
InChIKeyQFGQBFIREPHNJT-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.16
Rot. Bonds2

About tert-butyl 2-(methoxymethyl)-2,3-dihydropyrrole-1-carboxylate

tert-butyl 2-(methoxymethyl)-2,3-dihydropyrrole-1-carboxylate (PubChem CID 144506560) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is tert-butyl 2-(methoxymethyl)-2,3-dihydropyrrole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(methoxymethyl)-2,3-dihydropyrrole-1-carboxylate
PubChem CID144506560
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nametert-butyl 2-(methoxymethyl)-2,3-dihydropyrrole-1-carboxylate
SMILESCOCC1CC=CN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO3/c1-11(2,3)15-10(13)12-7-5-6-9(12)8-14-4/h5,7,9H,6,8H2,1-4H3
InChIKeyQFGQBFIREPHNJT-UHFFFAOYSA-N
XLogP2.16
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl 2-methyl (2S)-2,3-dihydro-1H-pyrrole-1,2-dicarboxylate
CID 11770186
Ethyl N-boc-L-proline-4-ene
CID 10562087
tert-butyl (2S)-2-(hydroxymethyl)-2,3-dihydropyrrole-1-carboxylate
CID 11458291
tert-Butyl-(4S)-4-(1-fluoroprop-2-en-1-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 57801768
1-tert-butyl 2-ethyl 2,3-dihydro-1H-pyrrole-1,2-dicarboxylate
CID 11075596
tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylate
CID 10852705
(4S)-3-[(E)-hept-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11160463
tert-butyl (4S)-4-[(2S)-but-3-en-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 23631407
tert-butyl (2S)-2-(acetyloxymethyl)-2,3-dihydropyrrole-1-carboxylate
CID 101231594
(4S)-3-[(E)-hex-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 139253389
1H-Pyrrole-1-carboxylic acid, 2-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-2,3-dihydro-, 1,1-dimethylethyl ester
CID 85289681
1-tert-butyl 2-methyl 2,3-dihydro-1H-pyrrole-1,2-dicarboxylate
CID 12638136

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(methoxymethyl)-2,3-dihydropyrrole-1-carboxylate?
The IUPAC name of tert-butyl 2-(methoxymethyl)-2,3-dihydropyrrole-1-carboxylate (CID 144506560) is tert-butyl 2-(methoxymethyl)-2,3-dihydropyrrole-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(methoxymethyl)-2,3-dihydropyrrole-1-carboxylate?
The canonical SMILES for tert-butyl 2-(methoxymethyl)-2,3-dihydropyrrole-1-carboxylate is COCC1CC=CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(methoxymethyl)-2,3-dihydropyrrole-1-carboxylate?
The InChIKey is QFGQBFIREPHNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-11(2,3)15-10(13)12-7-5-6-9(12)8-14-4/h5,7,9H,6,8H2,1-4H3.
What are the key properties of tert-butyl 2-(methoxymethyl)-2,3-dihydropyrrole-1-carboxylate?
tert-butyl 2-(methoxymethyl)-2,3-dihydropyrrole-1-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(methoxymethyl)-2,3-dihydropyrrole-1-carboxylate is sourced from PubChem (CID 144506560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).