(2S)-2-morpholin-4-yl-2,3-dihydro-1H-inden-1-ol

C13H17NO2 — CID 58393444

IUPAC(2S)-2-morpholin-4-yl-2,3-dihydro-1H-inden-1-ol
SMILESOC1c2ccccc2C[C@@H]1N1CCOCC1
InChIInChI=1S/C13H17NO2/c15-13-11-4-2-1-3-10(11)9-12(13)14-5-7-16-8-6-14/h1-4,12-13,15H,5-9H2/t12-,13?/m0/s1
InChIKeyAHHVSGZSYJAKBH-UEWDXFNNSA-N
MW219.28 g/mol
LogP0.98
Rot. Bonds1

About (2S)-2-morpholin-4-yl-2,3-dihydro-1H-inden-1-ol

(2S)-2-morpholin-4-yl-2,3-dihydro-1H-inden-1-ol (PubChem CID 58393444) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (2S)-2-morpholin-4-yl-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(2S)-2-morpholin-4-yl-2,3-dihydro-1H-inden-1-ol
PubChem CID58393444
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(2S)-2-morpholin-4-yl-2,3-dihydro-1H-inden-1-ol
SMILESOC1c2ccccc2C[C@@H]1N1CCOCC1
InChIInChI=1S/C13H17NO2/c15-13-11-4-2-1-3-10(11)9-12(13)14-5-7-16-8-6-14/h1-4,12-13,15H,5-9H2/t12-,13?/m0/s1
InChIKeyAHHVSGZSYJAKBH-UEWDXFNNSA-N
XLogP0.98
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1S,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl]morpholine
CID 129392431
2-(4,4-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-1-ol
CID 62930073
4-[(1S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-3,5-dihydro-2H-1,4-benzoxazepin-7-ol
CID 167940643
(1R,2S)-2-[(2R)-2-thiophen-2-ylmorpholin-4-yl]-2,3-dihydro-1H-inden-1-ol
CID 124882449
(1S)-2,3-dihydro-1H-indene-1,2-diol
CID 68820122
2-(3,4-dimethylpiperazin-1-yl)-2,3-dihydro-1H-inden-1-ol
CID 63636093
2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)-2,3-dihydro-1H-inden-1-ol
CID 75444809
4-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-1-(2,2,2-trifluoroethyl)piperazin-2-one
CID 124881650
2-(3-ethyl-4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-1-ol
CID 63634001
N-[1-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]piperidin-4-yl]propane-1-sulfonamide
CID 97335574
2-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]-2,3-dihydro-1H-inden-1-ol
CID 75444811
5-fluoro-2-[4-[(1S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]piperazin-1-yl]benzamide
CID 167938020

Frequently Asked Questions

What is the IUPAC name of (2S)-2-morpholin-4-yl-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (2S)-2-morpholin-4-yl-2,3-dihydro-1H-inden-1-ol (CID 58393444) is (2S)-2-morpholin-4-yl-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (2S)-2-morpholin-4-yl-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (2S)-2-morpholin-4-yl-2,3-dihydro-1H-inden-1-ol is OC1c2ccccc2C[C@@H]1N1CCOCC1.
What is the InChIKey of (2S)-2-morpholin-4-yl-2,3-dihydro-1H-inden-1-ol?
The InChIKey is AHHVSGZSYJAKBH-UEWDXFNNSA-N. The full InChI is InChI=1S/C13H17NO2/c15-13-11-4-2-1-3-10(11)9-12(13)14-5-7-16-8-6-14/h1-4,12-13,15H,5-9H2/t12-,13?/m0/s1.
What are the key properties of (2S)-2-morpholin-4-yl-2,3-dihydro-1H-inden-1-ol?
(2S)-2-morpholin-4-yl-2,3-dihydro-1H-inden-1-ol has a molecular weight of 219.28 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-morpholin-4-yl-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 58393444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).