1-(5-amino-2,3-dihydroindol-1-yl)-3-(oxan-2-yl)propan-1-one

C16H22N2O2 — CID 63952299

IUPAC1-(5-amino-2,3-dihydroindol-1-yl)-3-(oxan-2-yl)propan-1-one
SMILESNc1ccc2c(c1)CCN2C(=O)CCC1CCCCO1
InChIInChI=1S/C16H22N2O2/c17-13-4-6-15-12(11-13)8-9-18(15)16(19)7-5-14-3-1-2-10-20-14/h4,6,11,14H,1-3,5,7-10,17H2
InChIKeyMZGSGVSHORDFNC-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.51
Rot. Bonds3

About 1-(5-amino-2,3-dihydroindol-1-yl)-3-(oxan-2-yl)propan-1-one

1-(5-amino-2,3-dihydroindol-1-yl)-3-(oxan-2-yl)propan-1-one (PubChem CID 63952299) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(5-amino-2,3-dihydroindol-1-yl)-3-(oxan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-amino-2,3-dihydroindol-1-yl)-3-(oxan-2-yl)propan-1-one
PubChem CID63952299
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(5-amino-2,3-dihydroindol-1-yl)-3-(oxan-2-yl)propan-1-one
SMILESNc1ccc2c(c1)CCN2C(=O)CCC1CCCCO1
InChIInChI=1S/C16H22N2O2/c17-13-4-6-15-12(11-13)8-9-18(15)16(19)7-5-14-3-1-2-10-20-14/h4,6,11,14H,1-3,5,7-10,17H2
InChIKeyMZGSGVSHORDFNC-UHFFFAOYSA-N
XLogP2.51
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-amino-2,3-dihydroindol-1-yl)-(oxan-2-yl)methanone
CID 62213133
1-(5-amino-2,3-dihydroindol-1-yl)-2-cyclohexylethanone
CID 28776940
1-[2-(oxolan-2-yl)acetyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 167985111
1-(5-amino-2,3-dihydroindol-1-yl)-3-ethoxypropan-1-one
CID 55091499
1-(2-cyclopentylacetyl)-2,3-dihydroindole-5-carboxylic acid
CID 45349399
3-(oxolan-2-yl)-1-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propan-1-one;hydrochloride
CID 119521161
1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-cyclobutylethanone
CID 103161499
N-(4-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide
CID 63951302
4-oxo-4-[5-(oxolan-2-ylmethylsulfamoyl)-2,3-dihydroindol-1-yl]butanoic acid
CID 20864301
1-(5-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone;ethane
CID 144637224
1-(5-amino-2,3-dihydroindol-1-yl)-3-(2,2-difluoroethoxy)propan-1-one
CID 103205511
1-butanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43142326

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2,3-dihydroindol-1-yl)-3-(oxan-2-yl)propan-1-one?
The IUPAC name of 1-(5-amino-2,3-dihydroindol-1-yl)-3-(oxan-2-yl)propan-1-one (CID 63952299) is 1-(5-amino-2,3-dihydroindol-1-yl)-3-(oxan-2-yl)propan-1-one.
What is the SMILES notation for 1-(5-amino-2,3-dihydroindol-1-yl)-3-(oxan-2-yl)propan-1-one?
The canonical SMILES for 1-(5-amino-2,3-dihydroindol-1-yl)-3-(oxan-2-yl)propan-1-one is Nc1ccc2c(c1)CCN2C(=O)CCC1CCCCO1.
What is the InChIKey of 1-(5-amino-2,3-dihydroindol-1-yl)-3-(oxan-2-yl)propan-1-one?
The InChIKey is MZGSGVSHORDFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c17-13-4-6-15-12(11-13)8-9-18(15)16(19)7-5-14-3-1-2-10-20-14/h4,6,11,14H,1-3,5,7-10,17H2.
What are the key properties of 1-(5-amino-2,3-dihydroindol-1-yl)-3-(oxan-2-yl)propan-1-one?
1-(5-amino-2,3-dihydroindol-1-yl)-3-(oxan-2-yl)propan-1-one has a molecular weight of 274.36 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2,3-dihydroindol-1-yl)-3-(oxan-2-yl)propan-1-one is sourced from PubChem (CID 63952299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).