[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-pentylazanium

C15H23N2O+ — CID 2443776

IUPAC[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-pentylazanium
SMILESCCCCC[NH2+]CC(=O)N1CCc2ccccc21
InChIInChI=1S/C15H22N2O/c1-2-3-6-10-16-12-15(18)17-11-9-13-7-4-5-8-14(13)17/h4-5,7-8,16H,2-3,6,9-12H2,1H3/p+1
InChIKeyKGYJZNBGAAAZGR-UHFFFAOYSA-O
MW247.36 g/mol
LogP1.33
Rot. Bonds6

About [2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-pentylazanium

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-pentylazanium (PubChem CID 2443776) has the molecular formula C15H23N2O+ and a molecular weight of 247.36 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-pentylazanium.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-pentylazanium
PubChem CID2443776
Molecular FormulaC15H23N2O+
Molecular Weight247.36 g/mol
Exact Mass247.18
IUPAC Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-pentylazanium
SMILESCCCCC[NH2+]CC(=O)N1CCc2ccccc21
InChIInChI=1S/C15H22N2O/c1-2-3-6-10-16-12-15(18)17-11-9-13-7-4-5-8-14(13)17/h4-5,7-8,16H,2-3,6,9-12H2,1H3/p+1
InChIKeyKGYJZNBGAAAZGR-UHFFFAOYSA-O
XLogP1.33
TPSA36.92 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dihydroindol-1-yl)undecan-1-one
CID 4052782
1-(2,3-dihydroindol-1-yl)nonan-1-one
CID 3742272
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
1-[6-(2,3-dihydroindol-1-yl)-6-oxohexyl]-3-octadecylurea
CID 23574254
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-pentylmethanesulfonamide
CID 113153451
1-(2,3-dihydroindol-1-yl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 3405769
2-(diethylamino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 3028969
1-(2,3-dihydroindol-1-yl)-3-(4-ethylpiperazin-1-yl)propane-1,3-dione
CID 108944570
6-(2,3-dihydroindol-1-yl)-6-oxohexanoic acid
CID 22906002
methyl 3-(2,3-dihydroindol-1-yl)-3-oxopropanoate
CID 8990559
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]propanamide
CID 47413298

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-pentylazanium?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-pentylazanium (CID 2443776) is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-pentylazanium.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-pentylazanium?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-pentylazanium is CCCCC[NH2+]CC(=O)N1CCc2ccccc21.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-pentylazanium?
The InChIKey is KGYJZNBGAAAZGR-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H22N2O/c1-2-3-6-10-16-12-15(18)17-11-9-13-7-4-5-8-14(13)17/h4-5,7-8,16H,2-3,6,9-12H2,1H3/p+1.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-pentylazanium?
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-pentylazanium has a molecular weight of 247.36 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-pentylazanium is sourced from PubChem (CID 2443776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).