tert-butyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate

C15H24N2O3 — CID 63789729

IUPACtert-butyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(c1ccco1)N1CCCC1
InChIInChI=1S/C15H24N2O3/c1-15(2,3)20-14(18)16-11-12(13-7-6-10-19-13)17-8-4-5-9-17/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,16,18)
InChIKeySXWHFXDQPZBFJC-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.94
Rot. Bonds4

About tert-butyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate

tert-butyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate (PubChem CID 63789729) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is tert-butyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate
PubChem CID63789729
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Nametert-butyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(c1ccco1)N1CCCC1
InChIInChI=1S/C15H24N2O3/c1-15(2,3)20-14(18)16-11-12(13-7-6-10-19-13)17-8-4-5-9-17/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,16,18)
InChIKeySXWHFXDQPZBFJC-UHFFFAOYSA-N
XLogP2.94
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[[N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methylcarbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111009068
phenyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate
CID 112503288
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methyl-2-phenylpropanamide
CID 37171547
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 93157841
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 60636600
3-acetamido-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]propanamide
CID 110353373
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide
CID 7780302
2-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylpentanamide
CID 61247932
N-[2-[[N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methylcarbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 111008135
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]butanamide
CID 112503325
tert-butyl 4-[[[N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methylcarbamimidoyl]amino]methyl]piperidine-1-carboxylate;hydroiodide
CID 111007610
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-hydroxybutyl)urea
CID 111336996

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate (CID 63789729) is tert-butyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate is CC(C)(C)OC(=O)NCC(c1ccco1)N1CCCC1.
What is the InChIKey of tert-butyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate?
The InChIKey is SXWHFXDQPZBFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-15(2,3)20-14(18)16-11-12(13-7-6-10-19-13)17-8-4-5-9-17/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate?
tert-butyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate has a molecular weight of 280.37 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate is sourced from PubChem (CID 63789729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).