2-[[(1S)-1-(furan-2-yl)ethyl]amino]-1-pyrrolidin-1-ylethanone

C12H18N2O2 — CID 81400744

IUPAC2-[[(1S)-1-(furan-2-yl)ethyl]amino]-1-pyrrolidin-1-ylethanone
SMILESC[C@H](NCC(=O)N1CCCC1)c1ccco1
InChIInChI=1S/C12H18N2O2/c1-10(11-5-4-8-16-11)13-9-12(15)14-6-2-3-7-14/h4-5,8,10,13H,2-3,6-7,9H2,1H3/t10-/m0/s1
InChIKeyQURGNUDJDCDIQL-JTQLQIEISA-N
MW222.29 g/mol
LogP1.55
Rot. Bonds4

About 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-1-pyrrolidin-1-ylethanone

2-[[(1S)-1-(furan-2-yl)ethyl]amino]-1-pyrrolidin-1-ylethanone (PubChem CID 81400744) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[[(1S)-1-(furan-2-yl)ethyl]amino]-1-pyrrolidin-1-ylethanone
PubChem CID81400744
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-[[(1S)-1-(furan-2-yl)ethyl]amino]-1-pyrrolidin-1-ylethanone
SMILESC[C@H](NCC(=O)N1CCCC1)c1ccco1
InChIInChI=1S/C12H18N2O2/c1-10(11-5-4-8-16-11)13-9-12(15)14-6-2-3-7-14/h4-5,8,10,13H,2-3,6-7,9H2,1H3/t10-/m0/s1
InChIKeyQURGNUDJDCDIQL-JTQLQIEISA-N
XLogP1.55
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81400767
3-[1-(furan-2-yl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 113223074
1-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-[[(1R)-1-(furan-2-yl)ethyl]amino]ethanone
CID 8921553
2-[1-(5-methylfuran-2-yl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 60673238
2-[[(1R)-1-phenylethyl]amino]-1-piperidin-1-ylethanone
CID 28564943
2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-1-pyrrolidin-1-ylethanone
CID 113406015
1-(azepan-1-yl)-2-[1-(furan-2-yl)ethylamino]propan-1-one
CID 43401218
1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]ethanone
CID 8919704
N-carbamoyl-2-[1-(furan-2-yl)ethylamino]acetamide
CID 43401074
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N,N-dimethylacetamide
CID 81399983
2-[[(1S)-1-(2-methylphenyl)ethyl]amino]-1-pyrrolidin-1-ylethanone
CID 81375206
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-1-pyrrolidin-1-ylethanone
CID 81378766

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-1-pyrrolidin-1-ylethanone (CID 81400744) is 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-1-pyrrolidin-1-ylethanone is C[C@H](NCC(=O)N1CCCC1)c1ccco1.
What is the InChIKey of 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-1-pyrrolidin-1-ylethanone?
The InChIKey is QURGNUDJDCDIQL-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18N2O2/c1-10(11-5-4-8-16-11)13-9-12(15)14-6-2-3-7-14/h4-5,8,10,13H,2-3,6-7,9H2,1H3/t10-/m0/s1.
What are the key properties of 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-1-pyrrolidin-1-ylethanone?
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-1-pyrrolidin-1-ylethanone has a molecular weight of 222.29 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 81400744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).