1-(2,3-dihydro-1H-indol-5-yl)pentan-1-one

C13H17NO — CID 39163742

IUPAC1-(2,3-dihydro-1H-indol-5-yl)pentan-1-one
SMILESCCCCC(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C13H17NO/c1-2-3-4-13(15)11-5-6-12-10(9-11)7-8-14-12/h5-6,9,14H,2-4,7-8H2,1H3
InChIKeyGGZIWHFLXCYGIJ-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.03
Rot. Bonds4

About 1-(2,3-dihydro-1H-indol-5-yl)pentan-1-one

1-(2,3-dihydro-1H-indol-5-yl)pentan-1-one (PubChem CID 39163742) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indol-5-yl)pentan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indol-5-yl)pentan-1-one
PubChem CID39163742
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name1-(2,3-dihydro-1H-indol-5-yl)pentan-1-one
SMILESCCCCC(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C13H17NO/c1-2-3-4-13(15)11-5-6-12-10(9-11)7-8-14-12/h5-6,9,14H,2-4,7-8H2,1H3
InChIKeyGGZIWHFLXCYGIJ-UHFFFAOYSA-N
XLogP3.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1H-indol-5-yl)heptan-1-one
CID 116554189
1-(1,2,3,4-tetrahydroquinolin-6-yl)heptan-1-one
CID 116554411
1-(2,3-dihydro-1H-indol-5-yl)-2-(pentylamino)ethanone
CID 82102357
1-(2,3-dihydro-1H-indol-5-yl)hex-4-yn-1-one
CID 116554292
1-(2,3-dihydro-1H-indol-5-yl)-3-methylhexan-1-one
CID 116554160
N-pentyl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142455
2-chloro-1-(2,3-dihydro-1H-indol-5-yl)ethanone;hydrochloride
CID 56766314
N-butyl-N-ethyl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142468
1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 170999934
3-[[2-(2,3-dihydro-1H-indol-5-yl)-2-oxoethyl]-methylamino]propanoic acid
CID 82102384
2-(dibutylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 82256325
1-(2,3-dihydro-1H-indol-5-yl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 116554273

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indol-5-yl)pentan-1-one?
The IUPAC name of 1-(2,3-dihydro-1H-indol-5-yl)pentan-1-one (CID 39163742) is 1-(2,3-dihydro-1H-indol-5-yl)pentan-1-one.
What is the SMILES notation for 1-(2,3-dihydro-1H-indol-5-yl)pentan-1-one?
The canonical SMILES for 1-(2,3-dihydro-1H-indol-5-yl)pentan-1-one is CCCCC(=O)c1ccc2c(c1)CCN2.
What is the InChIKey of 1-(2,3-dihydro-1H-indol-5-yl)pentan-1-one?
The InChIKey is GGZIWHFLXCYGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-2-3-4-13(15)11-5-6-12-10(9-11)7-8-14-12/h5-6,9,14H,2-4,7-8H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-indol-5-yl)pentan-1-one?
1-(2,3-dihydro-1H-indol-5-yl)pentan-1-one has a molecular weight of 203.28 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-indol-5-yl)pentan-1-one is sourced from PubChem (CID 39163742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).