(6-amino-2,3-dihydroindol-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanone

C16H22N2O2 — CID 65152623

IUPAC(6-amino-2,3-dihydroindol-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanone
SMILESCC1OC(C)C(C(=O)N2CCc3ccc(N)cc32)C1C
InChIInChI=1S/C16H22N2O2/c1-9-10(2)20-11(3)15(9)16(19)18-7-6-12-4-5-13(17)8-14(12)18/h4-5,8-11,15H,6-7,17H2,1-3H3
InChIKeyBMKJFFQOEZUPOR-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.22
Rot. Bonds1

About (6-amino-2,3-dihydroindol-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanone

(6-amino-2,3-dihydroindol-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanone (PubChem CID 65152623) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (6-amino-2,3-dihydroindol-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanone.

Molecular Properties

Compound Name(6-amino-2,3-dihydroindol-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanone
PubChem CID65152623
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(6-amino-2,3-dihydroindol-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanone
SMILESCC1OC(C)C(C(=O)N2CCc3ccc(N)cc32)C1C
InChIInChI=1S/C16H22N2O2/c1-9-10(2)20-11(3)15(9)16(19)18-7-6-12-4-5-13(17)8-14(12)18/h4-5,8-11,15H,6-7,17H2,1-3H3
InChIKeyBMKJFFQOEZUPOR-UHFFFAOYSA-N
XLogP2.22
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-amino-2,3-dihydroindol-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanone?
The IUPAC name of (6-amino-2,3-dihydroindol-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanone (CID 65152623) is (6-amino-2,3-dihydroindol-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanone.
What is the SMILES notation for (6-amino-2,3-dihydroindol-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanone?
The canonical SMILES for (6-amino-2,3-dihydroindol-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanone is CC1OC(C)C(C(=O)N2CCc3ccc(N)cc32)C1C.
What is the InChIKey of (6-amino-2,3-dihydroindol-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanone?
The InChIKey is BMKJFFQOEZUPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-9-10(2)20-11(3)15(9)16(19)18-7-6-12-4-5-13(17)8-14(12)18/h4-5,8-11,15H,6-7,17H2,1-3H3.
What are the key properties of (6-amino-2,3-dihydroindol-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanone?
(6-amino-2,3-dihydroindol-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanone has a molecular weight of 274.36 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-2,3-dihydroindol-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanone is sourced from PubChem (CID 65152623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).