1-(2,3-dihydro-1H-inden-5-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone

C15H19NO2 — CID 62943961

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
SMILESO=C(CN1CCC(O)C1)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H19NO2/c17-14-6-7-16(9-14)10-15(18)13-5-4-11-2-1-3-12(11)8-13/h4-5,8,14,17H,1-3,6-7,9-10H2
InChIKeyGBDLBRKATXNKLQ-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.42
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone

1-(2,3-dihydro-1H-inden-5-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone (PubChem CID 62943961) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
PubChem CID62943961
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
SMILESO=C(CN1CCC(O)C1)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H19NO2/c17-14-6-7-16(9-14)10-15(18)13-5-4-11-2-1-3-12(11)8-13/h4-5,8,14,17H,1-3,6-7,9-10H2
InChIKeyGBDLBRKATXNKLQ-UHFFFAOYSA-N
XLogP1.42
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-2-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 114679215
1-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-4-carboxamide
CID 82104485
2-(3-hydroxypyrrolidin-1-yl)-1-(4-iodophenyl)ethanone
CID 62941898
2-(4-ethylpiperazin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 93191615
[(3S)-3-hydroxypyrrolidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 79029502
2-(4-acetylpiperazin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 110368694
4-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-1,4-diazepan-2-one
CID 65366624
(3S)-1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidin-3-ol
CID 107226173
2-(4-ethylsulfonylpiperazin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 110368725
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone
CID 83219100
(3R)-N-(2,3-dihydro-1H-inden-5-yl)-3-hydroxypyrrolidine-1-carboxamide
CID 111431168
1-(2,3-dihydro-1H-inden-5-yl)-2-(7,7-dimethyl-1,4-thiazepan-4-yl)ethanone
CID 107456799

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone (CID 62943961) is 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone is O=C(CN1CCC(O)C1)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone?
The InChIKey is GBDLBRKATXNKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c17-14-6-7-16(9-14)10-15(18)13-5-4-11-2-1-3-12(11)8-13/h4-5,8,14,17H,1-3,6-7,9-10H2.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone?
1-(2,3-dihydro-1H-inden-5-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone has a molecular weight of 245.32 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone is sourced from PubChem (CID 62943961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).