tert-butyl 3-[1-(1H-pyrrol-2-yl)ethoxy]pyrrolidine-1-carboxylate

C15H24N2O3 — CID 71633658

IUPACtert-butyl 3-[1-(1H-pyrrol-2-yl)ethoxy]pyrrolidine-1-carboxylate
SMILESCC(OC1CCN(C(=O)OC(C)(C)C)C1)c1ccc[nH]1
InChIInChI=1S/C15H24N2O3/c1-11(13-6-5-8-16-13)19-12-7-9-17(10-12)14(18)20-15(2,3)4/h5-6,8,11-12,16H,7,9-10H2,1-4H3
InChIKeyPFUPUHPIQMNLED-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.10
Rot. Bonds3

About tert-butyl 3-[1-(1H-pyrrol-2-yl)ethoxy]pyrrolidine-1-carboxylate

tert-butyl 3-[1-(1H-pyrrol-2-yl)ethoxy]pyrrolidine-1-carboxylate (PubChem CID 71633658) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is tert-butyl 3-[1-(1H-pyrrol-2-yl)ethoxy]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[1-(1H-pyrrol-2-yl)ethoxy]pyrrolidine-1-carboxylate
PubChem CID71633658
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Nametert-butyl 3-[1-(1H-pyrrol-2-yl)ethoxy]pyrrolidine-1-carboxylate
SMILESCC(OC1CCN(C(=O)OC(C)(C)C)C1)c1ccc[nH]1
InChIInChI=1S/C15H24N2O3/c1-11(13-6-5-8-16-13)19-12-7-9-17(10-12)14(18)20-15(2,3)4/h5-6,8,11-12,16H,7,9-10H2,1-4H3
InChIKeyPFUPUHPIQMNLED-UHFFFAOYSA-N
XLogP3.10
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[(1S)-1-(1H-pyrrol-2-yl)ethoxy]piperidine-1-carboxylate
CID 97175827
tert-butyl (3S)-3-[1-(1H-pyrrol-2-yl)ethylamino]pyrrolidine-1-carboxylate
CID 71633333
tert-butyl 4-[2-[(1R)-1-(1H-pyrrol-2-yl)ethoxy]ethyl]piperidine-1-carboxylate
CID 97175994
tert-butyl (3R)-3-methyl-4-[(1R)-1-(1H-pyrrol-2-yl)ethyl]piperazine-1-carboxylate
CID 129460354
tert-butyl (3S)-3-[[[(1S)-1-(1H-pyrrol-2-yl)ethyl]amino]methyl]pyrrolidine-1-carboxylate
CID 97175743
tert-butyl 3-[2-[1-(1H-pyrrol-2-yl)ethoxy]ethyl]piperidine-1-carboxylate
CID 71633705
tert-butyl (3S)-3-[[(1R)-1-(1H-pyrrol-2-yl)ethyl]amino]piperidine-1-carboxylate
CID 97175470
(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1-[(1R)-1-(1H-pyrrol-2-yl)ethyl]piperazine-2-carboxylic acid
CID 129460484
tert-butyl 4-[(1R)-1-(1H-pyrrol-2-yl)ethyl]piperazine-1-carboxylate
CID 97175641
tert-butyl 3-(1-pyrazin-2-ylethoxy)pyrrolidine-1-carboxylate
CID 71633662
tert-butyl (3S)-3-[(1S)-1-(furan-2-yl)ethoxy]piperidine-1-carboxylate
CID 97175805
tert-butyl (3R)-3-[(1S)-1-(furan-2-yl)ethoxy]piperidine-1-carboxylate
CID 97175781

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[1-(1H-pyrrol-2-yl)ethoxy]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[1-(1H-pyrrol-2-yl)ethoxy]pyrrolidine-1-carboxylate (CID 71633658) is tert-butyl 3-[1-(1H-pyrrol-2-yl)ethoxy]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[1-(1H-pyrrol-2-yl)ethoxy]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[1-(1H-pyrrol-2-yl)ethoxy]pyrrolidine-1-carboxylate is CC(OC1CCN(C(=O)OC(C)(C)C)C1)c1ccc[nH]1.
What is the InChIKey of tert-butyl 3-[1-(1H-pyrrol-2-yl)ethoxy]pyrrolidine-1-carboxylate?
The InChIKey is PFUPUHPIQMNLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-11(13-6-5-8-16-13)19-12-7-9-17(10-12)14(18)20-15(2,3)4/h5-6,8,11-12,16H,7,9-10H2,1-4H3.
What are the key properties of tert-butyl 3-[1-(1H-pyrrol-2-yl)ethoxy]pyrrolidine-1-carboxylate?
tert-butyl 3-[1-(1H-pyrrol-2-yl)ethoxy]pyrrolidine-1-carboxylate has a molecular weight of 280.37 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[1-(1H-pyrrol-2-yl)ethoxy]pyrrolidine-1-carboxylate is sourced from PubChem (CID 71633658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).