1-(2,3-dihydro-1H-indol-2-yl)-2-propan-2-yloxyethanone

C13H17NO2 — CID 116596831

IUPAC1-(2,3-dihydro-1H-indol-2-yl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)C1Cc2ccccc2N1
InChIInChI=1S/C13H17NO2/c1-9(2)16-8-13(15)12-7-10-5-3-4-6-11(10)14-12/h3-6,9,12,14H,7-8H2,1-2H3
InChIKeyGORLKBFTMNMFLM-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.02
Rot. Bonds4

About 1-(2,3-dihydro-1H-indol-2-yl)-2-propan-2-yloxyethanone

1-(2,3-dihydro-1H-indol-2-yl)-2-propan-2-yloxyethanone (PubChem CID 116596831) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indol-2-yl)-2-propan-2-yloxyethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indol-2-yl)-2-propan-2-yloxyethanone
PubChem CID116596831
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-(2,3-dihydro-1H-indol-2-yl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)C1Cc2ccccc2N1
InChIInChI=1S/C13H17NO2/c1-9(2)16-8-13(15)12-7-10-5-3-4-6-11(10)14-12/h3-6,9,12,14H,7-8H2,1-2H3
InChIKeyGORLKBFTMNMFLM-UHFFFAOYSA-N
XLogP2.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl indoline-2-carboxylate
CID 2794655
methyl (2S)-2,3-dihydro-1H-indole-2-carboxylate
CID 7020378
Methyl 2,3-dihydro-1H-indole-2-acetate
CID 9990119
(S)-Indoline-2-carboxylic acid ethyl ester
CID 11030625
Ethyl Indoline-2-carboxylate
CID 11949691
methyl 2,3-dihydro-1H-indole-2-carboxylate hydrochloride
CID 18358071
tert-butyl (2S)-2,3-dihydro-1H-indole-2-carboxylate
CID 18632201
(S)-Ethyl indoline-2-carboxylate hydrochloride
CID 22822759
Methyl (R)-indoline-2-carboxylate hydrochloride
CID 70236830
tert-butyl (2R)-2,3-dihydro-1H-indole-2-carboxylate
CID 93350125
Indoline-2-carbaldehyde
CID 21918474
ethyl (2R)-2,3-dihydro-1H-indole-2-carboxylate
CID 40424004

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indol-2-yl)-2-propan-2-yloxyethanone?
The IUPAC name of 1-(2,3-dihydro-1H-indol-2-yl)-2-propan-2-yloxyethanone (CID 116596831) is 1-(2,3-dihydro-1H-indol-2-yl)-2-propan-2-yloxyethanone.
What is the SMILES notation for 1-(2,3-dihydro-1H-indol-2-yl)-2-propan-2-yloxyethanone?
The canonical SMILES for 1-(2,3-dihydro-1H-indol-2-yl)-2-propan-2-yloxyethanone is CC(C)OCC(=O)C1Cc2ccccc2N1.
What is the InChIKey of 1-(2,3-dihydro-1H-indol-2-yl)-2-propan-2-yloxyethanone?
The InChIKey is GORLKBFTMNMFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9(2)16-8-13(15)12-7-10-5-3-4-6-11(10)14-12/h3-6,9,12,14H,7-8H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-indol-2-yl)-2-propan-2-yloxyethanone?
1-(2,3-dihydro-1H-indol-2-yl)-2-propan-2-yloxyethanone has a molecular weight of 219.28 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-indol-2-yl)-2-propan-2-yloxyethanone is sourced from PubChem (CID 116596831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).