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

C12H18N2O3 — CID 113406015

IUPAC2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-1-pyrrolidin-1-ylethanone
SMILESO=C(CNCC(O)c1ccco1)N1CCCC1
InChIInChI=1S/C12H18N2O3/c15-10(11-4-3-7-17-11)8-13-9-12(16)14-5-1-2-6-14/h3-4,7,10,13,15H,1-2,5-6,8-9H2
InChIKeyJOUHSUKOWODUJK-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.52
Rot. Bonds5

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

2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-1-pyrrolidin-1-ylethanone (PubChem CID 113406015) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-1-pyrrolidin-1-ylethanone
PubChem CID113406015
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-1-pyrrolidin-1-ylethanone
SMILESO=C(CNCC(O)c1ccco1)N1CCCC1
InChIInChI=1S/C12H18N2O3/c15-10(11-4-3-7-17-11)8-13-9-12(16)14-5-1-2-6-14/h3-4,7,10,13,15H,1-2,5-6,8-9H2
InChIKeyJOUHSUKOWODUJK-UHFFFAOYSA-N
XLogP0.52
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-N-methylacetamide
CID 60901417
2-[(2-hydroxy-2-phenylethyl)amino]-1-piperidin-1-ylethanone
CID 43392858
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-1-pyrrolidin-1-ylethanone
CID 81400744
tert-butyl 3-[[[2-(furan-2-yl)-2-hydroxyethyl]amino]methyl]piperidine-1-carboxylate
CID 111579071
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-pyrrolidin-1-ylbutyl)urea
CID 110896232
3-[1-(furan-2-yl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 113223074
1-(furan-2-yl)-2-pyrrolidin-1-ylethanol
CID 55212016
N-[2-(furan-2-yl)-2-hydroxyethyl]-1-propanoylpiperidine-2-carboxamide
CID 110906621
1-[2-(azepan-1-yl)-3-methylbutyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110895654
1-cyclopropyl-2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]ethanol
CID 63296627
1-(azepan-1-yl)-2-(2-phenylpropylamino)ethanone
CID 115573496
methyl 3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]propanoate
CID 60925426

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-1-pyrrolidin-1-ylethanone (CID 113406015) is 2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-1-pyrrolidin-1-ylethanone is O=C(CNCC(O)c1ccco1)N1CCCC1.
What is the InChIKey of 2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-1-pyrrolidin-1-ylethanone?
The InChIKey is JOUHSUKOWODUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c15-10(11-4-3-7-17-11)8-13-9-12(16)14-5-1-2-6-14/h3-4,7,10,13,15H,1-2,5-6,8-9H2.
What are the key properties of 2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-1-pyrrolidin-1-ylethanone?
2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-1-pyrrolidin-1-ylethanone has a molecular weight of 238.29 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 113406015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).