1-(3-hydroxybutyl)-3H-indol-2-one

C12H15NO2 — CID 82239875

IUPAC1-(3-hydroxybutyl)-3H-indol-2-one
SMILESCC(O)CCN1C(=O)Cc2ccccc21
InChIInChI=1S/C12H15NO2/c1-9(14)6-7-13-11-5-3-2-4-10(11)8-12(13)15/h2-5,9,14H,6-8H2,1H3
InChIKeyYUFWZQVADNFPQP-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.35
Rot. Bonds3

About 1-(3-hydroxybutyl)-3H-indol-2-one

1-(3-hydroxybutyl)-3H-indol-2-one (PubChem CID 82239875) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(3-hydroxybutyl)-3H-indol-2-one.

Molecular Properties

Compound Name1-(3-hydroxybutyl)-3H-indol-2-one
PubChem CID82239875
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-(3-hydroxybutyl)-3H-indol-2-one
SMILESCC(O)CCN1C(=O)Cc2ccccc21
InChIInChI=1S/C12H15NO2/c1-9(14)6-7-13-11-5-3-2-4-10(11)8-12(13)15/h2-5,9,14H,6-8H2,1H3
InChIKeyYUFWZQVADNFPQP-UHFFFAOYSA-N
XLogP1.35
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxyethyl)-3H-indol-2-one
CID 18624228
1-(5-aminohexyl)-3H-indol-2-one
CID 114993593
1-(4-oxopentyl)-3H-indol-2-one
CID 114999184
1-(2-sulfanylethyl)-3H-indol-2-one
CID 117030099
1-(2-methoxyethyl)-3H-indol-2-one
CID 58486241
1-(3-hydroxybutyl)-5-nitro-3H-indol-2-one
CID 114983007
1-[3-(2-methylpropylamino)propyl]-3H-indol-2-one
CID 114993317
2-(2-oxo-3H-indol-1-yl)acetamide
CID 840219
2-methyl-3-(methylamino)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]propanamide;hydrochloride
CID 119745286
1-[(2S)-2-hydroxypropyl]-3,4-dihydroquinolin-2-one
CID 103935304
1-[(4-propan-2-ylphenyl)methyl]-3H-indol-2-one
CID 82091764
1-[2-(1,6-dimethylpiperidin-2-yl)ethyl]-3H-indol-2-one
CID 71013060

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxybutyl)-3H-indol-2-one?
The IUPAC name of 1-(3-hydroxybutyl)-3H-indol-2-one (CID 82239875) is 1-(3-hydroxybutyl)-3H-indol-2-one.
What is the SMILES notation for 1-(3-hydroxybutyl)-3H-indol-2-one?
The canonical SMILES for 1-(3-hydroxybutyl)-3H-indol-2-one is CC(O)CCN1C(=O)Cc2ccccc21.
What is the InChIKey of 1-(3-hydroxybutyl)-3H-indol-2-one?
The InChIKey is YUFWZQVADNFPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-9(14)6-7-13-11-5-3-2-4-10(11)8-12(13)15/h2-5,9,14H,6-8H2,1H3.
What are the key properties of 1-(3-hydroxybutyl)-3H-indol-2-one?
1-(3-hydroxybutyl)-3H-indol-2-one has a molecular weight of 205.26 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxybutyl)-3H-indol-2-one is sourced from PubChem (CID 82239875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).