2-[1-(5-methylfuran-2-yl)ethylamino]-1-pyrrolidin-1-ylethanone

C13H20N2O2 — CID 60673238

IUPAC2-[1-(5-methylfuran-2-yl)ethylamino]-1-pyrrolidin-1-ylethanone
SMILESCc1ccc(C(C)NCC(=O)N2CCCC2)o1
InChIInChI=1S/C13H20N2O2/c1-10-5-6-12(17-10)11(2)14-9-13(16)15-7-3-4-8-15/h5-6,11,14H,3-4,7-9H2,1-2H3
InChIKeyJNOIKIZGTHPGCQ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.86
Rot. Bonds4

About 2-[1-(5-methylfuran-2-yl)ethylamino]-1-pyrrolidin-1-ylethanone

2-[1-(5-methylfuran-2-yl)ethylamino]-1-pyrrolidin-1-ylethanone (PubChem CID 60673238) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[1-(5-methylfuran-2-yl)ethylamino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[1-(5-methylfuran-2-yl)ethylamino]-1-pyrrolidin-1-ylethanone
PubChem CID60673238
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[1-(5-methylfuran-2-yl)ethylamino]-1-pyrrolidin-1-ylethanone
SMILESCc1ccc(C(C)NCC(=O)N2CCCC2)o1
InChIInChI=1S/C13H20N2O2/c1-10-5-6-12(17-10)11(2)14-9-13(16)15-7-3-4-8-15/h5-6,11,14H,3-4,7-9H2,1-2H3
InChIKeyJNOIKIZGTHPGCQ-UHFFFAOYSA-N
XLogP1.86
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-[1-(5-methylfuran-2-yl)ethylamino]acetyl]piperidin-3-yl]acetamide
CID 86789543
2-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]-1-piperidin-1-ylethanone
CID 75504575
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-1-pyrrolidin-1-ylethanone
CID 81400744
2-[[(1S)-1-(2-methylphenyl)ethyl]amino]-1-pyrrolidin-1-ylethanone
CID 81375206
2-[[(1R)-1-phenylethyl]amino]-1-piperidin-1-ylethanone
CID 28564943
1-[1-(5-methylfuran-2-yl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 54917373
1-(5-methylfuran-2-yl)-N-(2-piperidin-1-ylethyl)ethanamine
CID 60698146
4-acetyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-1,4-diazepane-1-carboxamide
CID 95134239
3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-2-pyrrolidin-1-ylbutan-1-amine
CID 43207823
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-piperidin-1-ylethanone
CID 81347710
2-[1-(5-methylfuran-2-yl)ethylamino]-N-pentan-2-ylacetamide
CID 60697975
2-[1-(4-bromophenyl)ethylamino]-1-piperidin-1-ylethanone
CID 60674178

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methylfuran-2-yl)ethylamino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[1-(5-methylfuran-2-yl)ethylamino]-1-pyrrolidin-1-ylethanone (CID 60673238) is 2-[1-(5-methylfuran-2-yl)ethylamino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[1-(5-methylfuran-2-yl)ethylamino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[1-(5-methylfuran-2-yl)ethylamino]-1-pyrrolidin-1-ylethanone is Cc1ccc(C(C)NCC(=O)N2CCCC2)o1.
What is the InChIKey of 2-[1-(5-methylfuran-2-yl)ethylamino]-1-pyrrolidin-1-ylethanone?
The InChIKey is JNOIKIZGTHPGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-5-6-12(17-10)11(2)14-9-13(16)15-7-3-4-8-15/h5-6,11,14H,3-4,7-9H2,1-2H3.
What are the key properties of 2-[1-(5-methylfuran-2-yl)ethylamino]-1-pyrrolidin-1-ylethanone?
2-[1-(5-methylfuran-2-yl)ethylamino]-1-pyrrolidin-1-ylethanone has a molecular weight of 236.31 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methylfuran-2-yl)ethylamino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 60673238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).