2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)-1-pyrrolidin-1-ylethanone

C14H18N2O2 — CID 116851344

IUPAC2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)-1-pyrrolidin-1-ylethanone
SMILESNC(C(=O)N1CCCC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H18N2O2/c15-13(14(17)16-6-1-2-7-16)11-3-4-12-10(9-11)5-8-18-12/h3-4,9,13H,1-2,5-8,15H2
InChIKeyPPFKFAXIWZZITP-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.24
Rot. Bonds2

About 2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)-1-pyrrolidin-1-ylethanone

2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)-1-pyrrolidin-1-ylethanone (PubChem CID 116851344) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)-1-pyrrolidin-1-ylethanone
PubChem CID116851344
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)-1-pyrrolidin-1-ylethanone
SMILESNC(C(=O)N1CCCC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H18N2O2/c15-13(14(17)16-6-1-2-7-16)11-3-4-12-10(9-11)5-8-18-12/h3-4,9,13H,1-2,5-8,15H2
InChIKeyPPFKFAXIWZZITP-UHFFFAOYSA-N
XLogP1.24
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 93297974
(2S)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 66510589
2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-1-yl)methanone
CID 60739558
2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyacetamide
CID 62225836
2,3-dihydro-1,4-benzodioxin-6-yl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 43119103
2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-piperidin-1-ylbutan-1-one
CID 70494204
2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-1-piperidin-1-ylpropan-1-one
CID 60930882
(2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 66513598
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 91786178
6-amino-6-(2,3-dihydro-1-benzofuran-5-yl)hexanamide
CID 54927378
(4R)-4-amino-4-(2,3-dihydro-1-benzofuran-5-yl)butanoic acid
CID 28744449
4-amino-4-(2,3-dihydro-1-benzofuran-5-yl)butanoic acid
CID 43209176

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)-1-pyrrolidin-1-ylethanone (CID 116851344) is 2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)-1-pyrrolidin-1-ylethanone is NC(C(=O)N1CCCC1)c1ccc2c(c1)CCO2.
What is the InChIKey of 2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)-1-pyrrolidin-1-ylethanone?
The InChIKey is PPFKFAXIWZZITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c15-13(14(17)16-6-1-2-7-16)11-3-4-12-10(9-11)5-8-18-12/h3-4,9,13H,1-2,5-8,15H2.
What are the key properties of 2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)-1-pyrrolidin-1-ylethanone?
2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)-1-pyrrolidin-1-ylethanone has a molecular weight of 246.31 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 116851344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).