3-amino-5-(2,3-dihydro-1H-inden-5-yl)oxolan-2-one

C13H15NO2 — CID 82158557

IUPAC3-amino-5-(2,3-dihydro-1H-inden-5-yl)oxolan-2-one
SMILESNC1CC(c2ccc3c(c2)CCC3)OC1=O
InChIInChI=1S/C13H15NO2/c14-11-7-12(16-13(11)15)10-5-4-8-2-1-3-9(8)6-10/h4-6,11-12H,1-3,7,14H2
InChIKeyAYQJRQYQPCOMAI-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.49
Rot. Bonds1

About 3-amino-5-(2,3-dihydro-1H-inden-5-yl)oxolan-2-one

3-amino-5-(2,3-dihydro-1H-inden-5-yl)oxolan-2-one (PubChem CID 82158557) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-amino-5-(2,3-dihydro-1H-inden-5-yl)oxolan-2-one.

Molecular Properties

Compound Name3-amino-5-(2,3-dihydro-1H-inden-5-yl)oxolan-2-one
PubChem CID82158557
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name3-amino-5-(2,3-dihydro-1H-inden-5-yl)oxolan-2-one
SMILESNC1CC(c2ccc3c(c2)CCC3)OC1=O
InChIInChI=1S/C13H15NO2/c14-11-7-12(16-13(11)15)10-5-4-8-2-1-3-9(8)6-10/h4-6,11-12H,1-3,7,14H2
InChIKeyAYQJRQYQPCOMAI-UHFFFAOYSA-N
XLogP1.49
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 82159789
(3R,5R)-3-amino-5-phenyloxolan-2-one
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5-(2,3-dihydro-1H-inden-5-yl)-1,3-diazinane-2,4,6-trione
CID 70201313
(3S)-3-(2,3-dihydro-1H-inden-5-yl)-3H-2-benzofuran-1-one
CID 1481835
3-(2,3-dihydro-1H-inden-5-yl)piperidin-4-amine
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(3S)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-3H-2-benzofuran-1-one
CID 139075246
3-(2,3-dihydro-1H-inden-5-yl)pyrrolidine-2,5-dione
CID 82113669
4-(2,3-dihydro-1H-inden-5-yl)-1-methylimidazolidin-2-one
CID 116980815
3-(2,3-dihydro-1H-inden-5-yl)cycloheptan-1-ol
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CID 104945210
N-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobutan-1-amine
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[(1R,3R)-3-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylcyclopropyl]methanamine
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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2,3-dihydro-1H-inden-5-yl)oxolan-2-one?
The IUPAC name of 3-amino-5-(2,3-dihydro-1H-inden-5-yl)oxolan-2-one (CID 82158557) is 3-amino-5-(2,3-dihydro-1H-inden-5-yl)oxolan-2-one.
What is the SMILES notation for 3-amino-5-(2,3-dihydro-1H-inden-5-yl)oxolan-2-one?
The canonical SMILES for 3-amino-5-(2,3-dihydro-1H-inden-5-yl)oxolan-2-one is NC1CC(c2ccc3c(c2)CCC3)OC1=O.
What is the InChIKey of 3-amino-5-(2,3-dihydro-1H-inden-5-yl)oxolan-2-one?
The InChIKey is AYQJRQYQPCOMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c14-11-7-12(16-13(11)15)10-5-4-8-2-1-3-9(8)6-10/h4-6,11-12H,1-3,7,14H2.
What are the key properties of 3-amino-5-(2,3-dihydro-1H-inden-5-yl)oxolan-2-one?
3-amino-5-(2,3-dihydro-1H-inden-5-yl)oxolan-2-one has a molecular weight of 217.27 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2,3-dihydro-1H-inden-5-yl)oxolan-2-one is sourced from PubChem (CID 82158557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).