2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-one

C15H20N2O3 — CID 151096244

IUPAC2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-one
SMILESNC(CN1CCCC1)C(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H20N2O3/c16-12(10-17-5-1-2-6-17)15(18)11-3-4-13-14(9-11)20-8-7-19-13/h3-4,9,12H,1-2,5-8,10,16H2
InChIKeyMNEBTRVJEFUXJB-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.06
Rot. Bonds4

About 2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-one

2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-one (PubChem CID 151096244) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-one
PubChem CID151096244
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-one
SMILESNC(CN1CCCC1)C(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H20N2O3/c16-12(10-17-5-1-2-6-17)15(18)11-3-4-13-14(9-11)20-8-7-19-13/h3-4,9,12H,1-2,5-8,10,16H2
InChIKeyMNEBTRVJEFUXJB-UHFFFAOYSA-N
XLogP1.06
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pent-4-yn-1-one
CID 116606661
2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropan-1-one
CID 116552522
1-piperidin-1-ylpropan-2-yl 2,3-dihydro-1,4-benzodioxine-6-carboxylate;hydrochloride
CID 2911466
N-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxo-3-pyrrolidin-1-ylpropan-2-yl]-5-oxo-5-phenylpentanamide
CID 70247374
(2R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol
CID 70826390
2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol
CID 20747757
3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbutan-1-one
CID 116612294
2-bromo-2-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
CID 116863830
(2R,3S)-3-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyridin-3-yl-4-pyrrolidin-1-ylbutan-1-one
CID 153357504
1-morpholin-4-ylpropan-2-yl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 654982
2,3-dihydro-1,4-benzodioxin-6-yl(piperidin-1-yl)methanone
CID 2890
3-amino-4-(1,3-benzodioxol-5-yl)-4-oxobutanoic acid
CID 82348771

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-one (CID 151096244) is 2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-one is NC(CN1CCCC1)C(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-one?
The InChIKey is MNEBTRVJEFUXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c16-12(10-17-5-1-2-6-17)15(18)11-3-4-13-14(9-11)20-8-7-19-13/h3-4,9,12H,1-2,5-8,10,16H2.
What are the key properties of 2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-one?
2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-one has a molecular weight of 276.34 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 151096244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).