2-(2,3-dihydroindol-1-yl)pentan-3-one

C13H17NO — CID 64868632

IUPAC2-(2,3-dihydroindol-1-yl)pentan-3-one
SMILESCCC(=O)C(C)N1CCc2ccccc21
InChIInChI=1S/C13H17NO/c1-3-13(15)10(2)14-9-8-11-6-4-5-7-12(11)14/h4-7,10H,3,8-9H2,1-2H3
InChIKeyPCHHPDXKPYCGIU-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.42
Rot. Bonds3

About 2-(2,3-dihydroindol-1-yl)pentan-3-one

2-(2,3-dihydroindol-1-yl)pentan-3-one (PubChem CID 64868632) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)pentan-3-one.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)pentan-3-one
PubChem CID64868632
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name2-(2,3-dihydroindol-1-yl)pentan-3-one
SMILESCCC(=O)C(C)N1CCc2ccccc21
InChIInChI=1S/C13H17NO/c1-3-13(15)10(2)14-9-8-11-6-4-5-7-12(11)14/h4-7,10H,3,8-9H2,1-2H3
InChIKeyPCHHPDXKPYCGIU-UHFFFAOYSA-N
XLogP2.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-bis(3,4-dihydro-2H-quinolin-1-yl)pentan-3-one
CID 151944573
1-(3-oxopentan-2-yl)-3,4-dihydroquinolin-2-one
CID 64865861
(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 42223767
2-(2,3-dihydroindol-1-yl)pentanoic acid
CID 21135037
2-(3-oxopentan-2-yl)-4,5-dihydro-3H-2-benzazepin-1-one
CID 104526095
2-(2,3-dihydroindol-1-yl)-3-methylbutanamide
CID 82040813
2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl chloride
CID 12730427
(2R)-2-(2,3-dihydroindol-1-yl)-N-(4-fluorophenyl)propanamide
CID 8704324
(2R)-2-(2,3-dihydroindol-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 9432303
2-(2,3-dihydroindol-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 112810869
(2S)-2-(2,3-dihydroindol-1-yl)-N-(2-fluorophenyl)propanamide
CID 8704291
(2S)-2-(2,3-dihydroindol-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 8704347

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)pentan-3-one?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)pentan-3-one (CID 64868632) is 2-(2,3-dihydroindol-1-yl)pentan-3-one.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)pentan-3-one?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)pentan-3-one is CCC(=O)C(C)N1CCc2ccccc21.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)pentan-3-one?
The InChIKey is PCHHPDXKPYCGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-3-13(15)10(2)14-9-8-11-6-4-5-7-12(11)14/h4-7,10H,3,8-9H2,1-2H3.
What are the key properties of 2-(2,3-dihydroindol-1-yl)pentan-3-one?
2-(2,3-dihydroindol-1-yl)pentan-3-one has a molecular weight of 203.28 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)pentan-3-one is sourced from PubChem (CID 64868632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).