1-[3-(2,3-dihydroindole-1-carbonyl)azetidin-1-yl]ethanone

C14H16N2O2 — CID 90511233

IUPAC1-[3-(2,3-dihydroindole-1-carbonyl)azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(C(=O)N2CCc3ccccc32)C1
InChIInChI=1S/C14H16N2O2/c1-10(17)15-8-12(9-15)14(18)16-7-6-11-4-2-3-5-13(11)16/h2-5,12H,6-9H2,1H3
InChIKeyQRTRSMUISCMLKJ-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.05
Rot. Bonds1

About 1-[3-(2,3-dihydroindole-1-carbonyl)azetidin-1-yl]ethanone

1-[3-(2,3-dihydroindole-1-carbonyl)azetidin-1-yl]ethanone (PubChem CID 90511233) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-[3-(2,3-dihydroindole-1-carbonyl)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2,3-dihydroindole-1-carbonyl)azetidin-1-yl]ethanone
PubChem CID90511233
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-[3-(2,3-dihydroindole-1-carbonyl)azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(C(=O)N2CCc3ccccc32)C1
InChIInChI=1S/C14H16N2O2/c1-10(17)15-8-12(9-15)14(18)16-7-6-11-4-2-3-5-13(11)16/h2-5,12H,6-9H2,1H3
InChIKeyQRTRSMUISCMLKJ-UHFFFAOYSA-N
XLogP1.05
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methanone
CID 26290467
(1-cyclopropylsulfonylazetidin-3-yl)-(2,3-dihydroindol-1-yl)methanone
CID 90513387
1-[(2S)-2-(2,3-dihydroindole-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 8900102
(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 9400843
trans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid
CID 7101559
(3-aminocyclohexyl)-(2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119673091
cis-(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylate
CID 7101560
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylpyrrolidin-2-one
CID 47166895
1-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 47984287
1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
CID 19375487
3-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid
CID 139695348
1-(2,3-dihydroindol-1-yl)-2-[4-(3-methylcyclobutanecarbonyl)piperazin-1-yl]ethanone
CID 75361771

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-dihydroindole-1-carbonyl)azetidin-1-yl]ethanone?
The IUPAC name of 1-[3-(2,3-dihydroindole-1-carbonyl)azetidin-1-yl]ethanone (CID 90511233) is 1-[3-(2,3-dihydroindole-1-carbonyl)azetidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(2,3-dihydroindole-1-carbonyl)azetidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(2,3-dihydroindole-1-carbonyl)azetidin-1-yl]ethanone is CC(=O)N1CC(C(=O)N2CCc3ccccc32)C1.
What is the InChIKey of 1-[3-(2,3-dihydroindole-1-carbonyl)azetidin-1-yl]ethanone?
The InChIKey is QRTRSMUISCMLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10(17)15-8-12(9-15)14(18)16-7-6-11-4-2-3-5-13(11)16/h2-5,12H,6-9H2,1H3.
What are the key properties of 1-[3-(2,3-dihydroindole-1-carbonyl)azetidin-1-yl]ethanone?
1-[3-(2,3-dihydroindole-1-carbonyl)azetidin-1-yl]ethanone has a molecular weight of 244.29 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3-dihydroindole-1-carbonyl)azetidin-1-yl]ethanone is sourced from PubChem (CID 90511233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).