[(2S)-2,3-dihydro-1H-indol-2-yl]-[2-(hydroxymethyl)morpholin-4-yl]methanone

C14H18N2O3 — CID 81203555

IUPAC[(2S)-2,3-dihydro-1H-indol-2-yl]-[2-(hydroxymethyl)morpholin-4-yl]methanone
SMILESO=C([C@@H]1Cc2ccccc2N1)N1CCOC(CO)C1
InChIInChI=1S/C14H18N2O3/c17-9-11-8-16(5-6-19-11)14(18)13-7-10-3-1-2-4-12(10)15-13/h1-4,11,13,15,17H,5-9H2/t11?,13-/m0/s1
InChIKeyQRKHITSBZJPERN-YUZLPWPTSA-N
MW262.31 g/mol
LogP0.24
Rot. Bonds2

About [(2S)-2,3-dihydro-1H-indol-2-yl]-[2-(hydroxymethyl)morpholin-4-yl]methanone

[(2S)-2,3-dihydro-1H-indol-2-yl]-[2-(hydroxymethyl)morpholin-4-yl]methanone (PubChem CID 81203555) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is [(2S)-2,3-dihydro-1H-indol-2-yl]-[2-(hydroxymethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[(2S)-2,3-dihydro-1H-indol-2-yl]-[2-(hydroxymethyl)morpholin-4-yl]methanone
PubChem CID81203555
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name[(2S)-2,3-dihydro-1H-indol-2-yl]-[2-(hydroxymethyl)morpholin-4-yl]methanone
SMILESO=C([C@@H]1Cc2ccccc2N1)N1CCOC(CO)C1
InChIInChI=1S/C14H18N2O3/c17-9-11-8-16(5-6-19-11)14(18)13-7-10-3-1-2-4-12(10)15-13/h1-4,11,13,15,17H,5-9H2/t11?,13-/m0/s1
InChIKeyQRKHITSBZJPERN-YUZLPWPTSA-N
XLogP0.24
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(hydroxymethyl)morpholin-4-yl]-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 81203025
[2-(hydroxymethyl)morpholin-4-yl]-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 104896735
4-(2,3-dihydro-1H-indole-2-carbonyl)morpholine-2-carbonitrile
CID 80567408
[(2R)-2,3-dihydro-1H-indol-2-yl]-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 124591703
2,3-dihydro-1H-indol-2-yl-(3-methylpyrrolidin-1-yl)methanone
CID 76895982
2,3-dihydro-1H-indol-2-yl-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride
CID 120630609
[(2S)-2,3-dihydro-1H-indol-2-yl]-(1,4-oxazepan-4-yl)methanone
CID 55153900
[(2R)-2,3-dihydro-1H-indol-2-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 124591695
[(2S)-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone
CID 61148628
[(2S)-2,3-dihydro-1H-indol-2-yl]-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220795
2,3-dihydro-1H-indol-2-yl-(3,4-dimethylpiperazin-1-yl)methanone
CID 77002747
[(2R)-2,3-dihydro-1H-indol-2-yl]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 124591728

Frequently Asked Questions

What is the IUPAC name of [(2S)-2,3-dihydro-1H-indol-2-yl]-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The IUPAC name of [(2S)-2,3-dihydro-1H-indol-2-yl]-[2-(hydroxymethyl)morpholin-4-yl]methanone (CID 81203555) is [(2S)-2,3-dihydro-1H-indol-2-yl]-[2-(hydroxymethyl)morpholin-4-yl]methanone.
What is the SMILES notation for [(2S)-2,3-dihydro-1H-indol-2-yl]-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The canonical SMILES for [(2S)-2,3-dihydro-1H-indol-2-yl]-[2-(hydroxymethyl)morpholin-4-yl]methanone is O=C([C@@H]1Cc2ccccc2N1)N1CCOC(CO)C1.
What is the InChIKey of [(2S)-2,3-dihydro-1H-indol-2-yl]-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The InChIKey is QRKHITSBZJPERN-YUZLPWPTSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-9-11-8-16(5-6-19-11)14(18)13-7-10-3-1-2-4-12(10)15-13/h1-4,11,13,15,17H,5-9H2/t11?,13-/m0/s1.
What are the key properties of [(2S)-2,3-dihydro-1H-indol-2-yl]-[2-(hydroxymethyl)morpholin-4-yl]methanone?
[(2S)-2,3-dihydro-1H-indol-2-yl]-[2-(hydroxymethyl)morpholin-4-yl]methanone has a molecular weight of 262.31 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2,3-dihydro-1H-indol-2-yl]-[2-(hydroxymethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 81203555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).