1-[(3S)-3-aminopyrrolidin-1-yl]-2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]ethanone

C15H20N2O2 — CID 124574483

IUPAC1-[(3S)-3-aminopyrrolidin-1-yl]-2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]ethanone
SMILESN[C@H]1CCN(C(=O)C[C@H]2OCCc3ccccc32)C1
InChIInChI=1S/C15H20N2O2/c16-12-5-7-17(10-12)15(18)9-14-13-4-2-1-3-11(13)6-8-19-14/h1-4,12,14H,5-10,16H2/t12-,14+/m0/s1
InChIKeyIZNISGZSAOIHCX-GXTWGEPZSA-N
MW260.34 g/mol
LogP1.25
Rot. Bonds2

About 1-[(3S)-3-aminopyrrolidin-1-yl]-2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]ethanone

1-[(3S)-3-aminopyrrolidin-1-yl]-2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]ethanone (PubChem CID 124574483) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-[(3S)-3-aminopyrrolidin-1-yl]-2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-aminopyrrolidin-1-yl]-2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]ethanone
PubChem CID124574483
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-[(3S)-3-aminopyrrolidin-1-yl]-2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]ethanone
SMILESN[C@H]1CCN(C(=O)C[C@H]2OCCc3ccccc32)C1
InChIInChI=1S/C15H20N2O2/c16-12-5-7-17(10-12)15(18)9-14-13-4-2-1-3-11(13)6-8-19-14/h1-4,12,14H,5-10,16H2/t12-,14+/m0/s1
InChIKeyIZNISGZSAOIHCX-GXTWGEPZSA-N
XLogP1.25
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminopiperidin-1-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanone
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(3S)-1-(3,4-dihydro-1H-isochromen-1-ylmethyl)pyrrolidin-3-amine
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2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-N-[(3R)-1-propanoylpyrrolidin-3-yl]acetamide
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(2R)-1-[2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 124702915
(2R)-1-[2-(3,4-dihydro-1H-isochromen-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 119371436
1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-(3,4-dihydro-1H-isochromen-1-yl)ethanone;hydrochloride
CID 120744035
2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-1-[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
CID 129326457
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(3,4-dihydro-1H-isochromen-1-yl)ethanone;hydrochloride
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2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-1-(7-methyl-2,3-dihydroindol-1-yl)ethanone
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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-aminopyrrolidin-1-yl]-2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]ethanone?
The IUPAC name of 1-[(3S)-3-aminopyrrolidin-1-yl]-2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]ethanone (CID 124574483) is 1-[(3S)-3-aminopyrrolidin-1-yl]-2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-aminopyrrolidin-1-yl]-2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-aminopyrrolidin-1-yl]-2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]ethanone is N[C@H]1CCN(C(=O)C[C@H]2OCCc3ccccc32)C1.
What is the InChIKey of 1-[(3S)-3-aminopyrrolidin-1-yl]-2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]ethanone?
The InChIKey is IZNISGZSAOIHCX-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H20N2O2/c16-12-5-7-17(10-12)15(18)9-14-13-4-2-1-3-11(13)6-8-19-14/h1-4,12,14H,5-10,16H2/t12-,14+/m0/s1.
What are the key properties of 1-[(3S)-3-aminopyrrolidin-1-yl]-2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]ethanone?
1-[(3S)-3-aminopyrrolidin-1-yl]-2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]ethanone has a molecular weight of 260.34 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-aminopyrrolidin-1-yl]-2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]ethanone is sourced from PubChem (CID 124574483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).