2-(2,3-dihydro-1H-inden-5-yloxy)-1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-methylpropan-1-one

C19H27NO4 — CID 133267766

IUPAC2-(2,3-dihydro-1H-inden-5-yloxy)-1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCCO[C@@H]1CN(C(=O)C(C)(C)Oc2ccc3c(c2)CCC3)C[C@H]1O
InChIInChI=1S/C19H27NO4/c1-4-23-17-12-20(11-16(17)21)18(22)19(2,3)24-15-9-8-13-6-5-7-14(13)10-15/h8-10,16-17,21H,4-7,11-12H2,1-3H3/t16-,17-/m1/s1
InChIKeyYWTBSTOUGSORHN-IAGOWNOFSA-N
MW333.43 g/mol
LogP1.94
Rot. Bonds5

About 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-methylpropan-1-one

2-(2,3-dihydro-1H-inden-5-yloxy)-1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-methylpropan-1-one (PubChem CID 133267766) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yloxy)-1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-methylpropan-1-one
PubChem CID133267766
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Name2-(2,3-dihydro-1H-inden-5-yloxy)-1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCCO[C@@H]1CN(C(=O)C(C)(C)Oc2ccc3c(c2)CCC3)C[C@H]1O
InChIInChI=1S/C19H27NO4/c1-4-23-17-12-20(11-16(17)21)18(22)19(2,3)24-15-9-8-13-6-5-7-14(13)10-15/h8-10,16-17,21H,4-7,11-12H2,1-3H3/t16-,17-/m1/s1
InChIKeyYWTBSTOUGSORHN-IAGOWNOFSA-N
XLogP1.94
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-1-piperazin-1-ylpropan-1-one
CID 39286821
methyl 2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoate
CID 82129231
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylpropan-1-one
CID 70717649
2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-1-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 90650294
9-[2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 90651795
(5R)-9-[2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95710956
1-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropan-1-one;hydrochloride
CID 154895105
2-ethoxy-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)cyclobutan-1-ol
CID 104675407
3-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoic acid
CID 82086851
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-(2-ethylimidazol-1-yl)ethyl]-2-methylpropanamide
CID 135095485
5-[2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
CID 70787298
(2R)-2-chloro-1-[(3R,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]propan-1-one
CID 129499348

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-methylpropan-1-one (CID 133267766) is 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-methylpropan-1-one is CCO[C@@H]1CN(C(=O)C(C)(C)Oc2ccc3c(c2)CCC3)C[C@H]1O.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-methylpropan-1-one?
The InChIKey is YWTBSTOUGSORHN-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H27NO4/c1-4-23-17-12-20(11-16(17)21)18(22)19(2,3)24-15-9-8-13-6-5-7-14(13)10-15/h8-10,16-17,21H,4-7,11-12H2,1-3H3/t16-,17-/m1/s1.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-methylpropan-1-one?
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-methylpropan-1-one has a molecular weight of 333.43 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 133267766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).