1-(2-methyl-1-propan-2-yl-2,3-dihydroindol-7-yl)propan-2-one

C15H21NO — CID 117203881

IUPAC1-(2-methyl-1-propan-2-yl-2,3-dihydroindol-7-yl)propan-2-one
SMILESCC(=O)Cc1cccc2c1N(C(C)C)C(C)C2
InChIInChI=1S/C15H21NO/c1-10(2)16-11(3)8-13-6-5-7-14(15(13)16)9-12(4)17/h5-7,10-11H,8-9H2,1-4H3
InChIKeyJFTAHPVWHUBWQG-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.98
Rot. Bonds3

About 1-(2-methyl-1-propan-2-yl-2,3-dihydroindol-7-yl)propan-2-one

1-(2-methyl-1-propan-2-yl-2,3-dihydroindol-7-yl)propan-2-one (PubChem CID 117203881) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(2-methyl-1-propan-2-yl-2,3-dihydroindol-7-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-methyl-1-propan-2-yl-2,3-dihydroindol-7-yl)propan-2-one
PubChem CID117203881
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(2-methyl-1-propan-2-yl-2,3-dihydroindol-7-yl)propan-2-one
SMILESCC(=O)Cc1cccc2c1N(C(C)C)C(C)C2
InChIInChI=1S/C15H21NO/c1-10(2)16-11(3)8-13-6-5-7-14(15(13)16)9-12(4)17/h5-7,10-11H,8-9H2,1-4H3
InChIKeyJFTAHPVWHUBWQG-UHFFFAOYSA-N
XLogP2.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methyl-1-propan-2-yl-2,3-dihydroindol-7-yl)propan-2-ol
CID 117203904
1-(1-ethyl-2-methyl-2,3-dihydroindol-4-yl)propan-2-one
CID 117202850
1-(1-benzyl-2,3-dihydroindol-7-yl)propan-2-one
CID 115107224
3-methyl-1-[2-(2-oxopropyl)phenyl]butan-2-one
CID 138721805
2-methyl-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one;sulfane
CID 160861486
(1-ethyl-2-methyl-2,3-dihydroindol-7-yl)methanamine
CID 117203939
(2R)-N-(4-acetylphenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propanamide
CID 2128245
2,2-dimethyl-3-(2-methyl-1-propan-2-yl-2,3-dihydroindol-5-yl)propanoic acid
CID 117203319
1-(2-methyl-1-propan-2-yl-2,3-dihydroindol-5-yl)ethanol
CID 117203210
1-(2-cyclobutylsulfanylphenyl)propan-2-one
CID 84686139
N-(3-methylbutan-2-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 86908313
1-(3-hydroxybutyl)-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea
CID 111337321

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1-propan-2-yl-2,3-dihydroindol-7-yl)propan-2-one?
The IUPAC name of 1-(2-methyl-1-propan-2-yl-2,3-dihydroindol-7-yl)propan-2-one (CID 117203881) is 1-(2-methyl-1-propan-2-yl-2,3-dihydroindol-7-yl)propan-2-one.
What is the SMILES notation for 1-(2-methyl-1-propan-2-yl-2,3-dihydroindol-7-yl)propan-2-one?
The canonical SMILES for 1-(2-methyl-1-propan-2-yl-2,3-dihydroindol-7-yl)propan-2-one is CC(=O)Cc1cccc2c1N(C(C)C)C(C)C2.
What is the InChIKey of 1-(2-methyl-1-propan-2-yl-2,3-dihydroindol-7-yl)propan-2-one?
The InChIKey is JFTAHPVWHUBWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-10(2)16-11(3)8-13-6-5-7-14(15(13)16)9-12(4)17/h5-7,10-11H,8-9H2,1-4H3.
What are the key properties of 1-(2-methyl-1-propan-2-yl-2,3-dihydroindol-7-yl)propan-2-one?
1-(2-methyl-1-propan-2-yl-2,3-dihydroindol-7-yl)propan-2-one has a molecular weight of 231.34 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1-propan-2-yl-2,3-dihydroindol-7-yl)propan-2-one is sourced from PubChem (CID 117203881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).