[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]azanium

C16H23N2O2+ — CID 7437096

IUPAC[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]azanium
SMILESC[C@H]1Cc2ccccc2N1C(=O)C[NH2+]C[C@@H]1CCCO1
InChIInChI=1S/C16H22N2O2/c1-12-9-13-5-2-3-7-15(13)18(12)16(19)11-17-10-14-6-4-8-20-14/h2-3,5,7,12,14,17H,4,6,8-11H2,1H3/p+1/t12-,14-/m0/s1
InChIKeyBWLGZEBCVBPJPN-JSGCOSHPSA-O
MW275.37 g/mol
LogP0.71
Rot. Bonds4

About [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]azanium

[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]azanium (PubChem CID 7437096) has the molecular formula C16H23N2O2+ and a molecular weight of 275.37 g/mol. Its IUPAC name is [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]azanium.

Molecular Properties

Compound Name[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]azanium
PubChem CID7437096
Molecular FormulaC16H23N2O2+
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]azanium
SMILESC[C@H]1Cc2ccccc2N1C(=O)C[NH2+]C[C@@H]1CCCO1
InChIInChI=1S/C16H22N2O2/c1-12-9-13-5-2-3-7-15(13)18(12)16(19)11-17-10-14-6-4-8-20-14/h2-3,5,7,12,14,17H,4,6,8-11H2,1H3/p+1/t12-,14-/m0/s1
InChIKeyBWLGZEBCVBPJPN-JSGCOSHPSA-O
XLogP0.71
TPSA46.15 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]azanium with MolForge

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Related Compounds

1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[[(2S)-oxolan-2-yl]methylsulfonyl]ethanone
CID 94048261
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[[(2R)-oxolan-2-yl]methylsulfonyl]ethanone
CID 94048263
N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 113160363
(2-methyl-2,3-dihydroindol-1-yl)-[2-methyl-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]methanone
CID 109365813
2-[[5-(4-hydroxyphenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 3173671
2-[[5-(4-fluorophenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 112776482
1-[3-(oxolan-2-yl)propanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 43172331
1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 73142226
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,4-diazepan-1-yl]ethanone
CID 3438367
1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43437065
N-cyclopentyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide
CID 113159384
2-(methylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119669437

Frequently Asked Questions

What is the IUPAC name of [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]azanium?
The IUPAC name of [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]azanium (CID 7437096) is [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]azanium.
What is the SMILES notation for [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]azanium?
The canonical SMILES for [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]azanium is C[C@H]1Cc2ccccc2N1C(=O)C[NH2+]C[C@@H]1CCCO1.
What is the InChIKey of [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]azanium?
The InChIKey is BWLGZEBCVBPJPN-JSGCOSHPSA-O. The full InChI is InChI=1S/C16H22N2O2/c1-12-9-13-5-2-3-7-15(13)18(12)16(19)11-17-10-14-6-4-8-20-14/h2-3,5,7,12,14,17H,4,6,8-11H2,1H3/p+1/t12-,14-/m0/s1.
What are the key properties of [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]azanium?
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]azanium has a molecular weight of 275.37 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]azanium is sourced from PubChem (CID 7437096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).