1-(2,3-dihydro-1H-indol-5-yl)ethanone

C20H22N2O2 — CID 170999934

IUPAC1-(2,3-dihydro-1H-indol-5-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)CCN2.CC(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/2C10H11NO/c2*1-7(12)8-2-3-10-9(6-8)4-5-11-10/h2*2-3,6,11H,4-5H2,1H3
InChIKeyHAGQMOKQYDZPJN-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.71
Rot. Bonds2

About 1-(2,3-dihydro-1H-indol-5-yl)ethanone

1-(2,3-dihydro-1H-indol-5-yl)ethanone (PubChem CID 170999934) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indol-5-yl)ethanone
PubChem CID170999934
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name1-(2,3-dihydro-1H-indol-5-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)CCN2.CC(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/2C10H11NO/c2*1-7(12)8-2-3-10-9(6-8)4-5-11-10/h2*2-3,6,11H,4-5H2,1H3
InChIKeyHAGQMOKQYDZPJN-UHFFFAOYSA-N
XLogP3.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-prop-1-en-2-yl-2,3-dihydro-1H-indole
CID 130132973
1-[4-(2,3-dihydro-1H-indole-5-carbonyl)piperazin-1-yl]ethanone
CID 60893291
1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone
CID 67161719
N-(2-acetamidoethyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43552874
2-chloro-1-(2,3-dihydro-1H-indol-5-yl)ethanone;hydrochloride
CID 56766314
1-(2,3-dihydro-1H-indol-5-yl)pentan-1-one
CID 39163742
cyclopentyl(2,3-dihydro-1H-indol-5-yl)methanone
CID 39243587
2,3-dihydro-1H-indol-5-yl-(2,4-dimethylphenyl)methanone
CID 116554075
2,3-dihydro-1H-indol-5-yl-(3,4-dimethoxyphenyl)methanone
CID 116554163
1-(2,3-dihydro-1H-indol-5-yl)heptan-1-one
CID 116554189
N-ethoxy-2,3-dihydro-1H-indole-5-carboxamide
CID 64974739
N-cyclopropyl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142413

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indol-5-yl)ethanone?
The IUPAC name of 1-(2,3-dihydro-1H-indol-5-yl)ethanone (CID 170999934) is 1-(2,3-dihydro-1H-indol-5-yl)ethanone.
What is the SMILES notation for 1-(2,3-dihydro-1H-indol-5-yl)ethanone?
The canonical SMILES for 1-(2,3-dihydro-1H-indol-5-yl)ethanone is CC(=O)c1ccc2c(c1)CCN2.CC(=O)c1ccc2c(c1)CCN2.
What is the InChIKey of 1-(2,3-dihydro-1H-indol-5-yl)ethanone?
The InChIKey is HAGQMOKQYDZPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H11NO/c2*1-7(12)8-2-3-10-9(6-8)4-5-11-10/h2*2-3,6,11H,4-5H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-indol-5-yl)ethanone?
1-(2,3-dihydro-1H-indol-5-yl)ethanone has a molecular weight of 322.41 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-indol-5-yl)ethanone is sourced from PubChem (CID 170999934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).