2,3-dihydro-1H-inden-2-yl-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

C15H19NO2 — CID 54377731

IUPAC2,3-dihydro-1H-inden-2-yl-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESO=C(C1Cc2ccccc2C1)N1CCC[C@H]1CO
InChIInChI=1S/C15H19NO2/c17-10-14-6-3-7-16(14)15(18)13-8-11-4-1-2-5-12(11)9-13/h1-2,4-5,13-14,17H,3,6-10H2/t14-/m0/s1
InChIKeyUXSWJYQTAXXJFM-AWEZNQCLSA-N
MW245.32 g/mol
LogP1.38
Rot. Bonds2

About 2,3-dihydro-1H-inden-2-yl-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

2,3-dihydro-1H-inden-2-yl-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 54377731) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-2-yl-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-2-yl-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID54377731
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2,3-dihydro-1H-inden-2-yl-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESO=C(C1Cc2ccccc2C1)N1CCC[C@H]1CO
InChIInChI=1S/C15H19NO2/c17-10-14-6-3-7-16(14)15(18)13-8-11-4-1-2-5-12(11)9-13/h1-2,4-5,13-14,17H,3,6-10H2/t14-/m0/s1
InChIKeyUXSWJYQTAXXJFM-AWEZNQCLSA-N
XLogP1.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1H-inden-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 106893221
2,3-dihydro-1H-inden-2-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 106893430
[2-(2-chloroethyl)piperidin-1-yl]-(2,3-dihydro-1H-inden-2-yl)methanone
CID 106894184
3,4-dihydro-2H-chromen-3-yl-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421216
2,3-dihydro-1H-indol-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116634670
[2-(methylaminomethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107127304
(2R)-1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 106892375
cyclopentyl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030199
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(2,3-dihydro-1H-inden-2-yl)methanone
CID 106893347
1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidine-2-carbonitrile
CID 106892896
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone
CID 107217931
cyclopentyl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636172

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-2-yl-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of 2,3-dihydro-1H-inden-2-yl-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 54377731) is 2,3-dihydro-1H-inden-2-yl-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1H-inden-2-yl-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for 2,3-dihydro-1H-inden-2-yl-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone is O=C(C1Cc2ccccc2C1)N1CCC[C@H]1CO.
What is the InChIKey of 2,3-dihydro-1H-inden-2-yl-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is UXSWJYQTAXXJFM-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H19NO2/c17-10-14-6-3-7-16(14)15(18)13-8-11-4-1-2-5-12(11)9-13/h1-2,4-5,13-14,17H,3,6-10H2/t14-/m0/s1.
What are the key properties of 2,3-dihydro-1H-inden-2-yl-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
2,3-dihydro-1H-inden-2-yl-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 245.32 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-2-yl-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 54377731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).