5-[1-hydroxy-3-(oxolan-2-yl)propyl]-1-methyl-3H-indol-2-one

C16H21NO3 — CID 65160268

IUPAC5-[1-hydroxy-3-(oxolan-2-yl)propyl]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(O)CCC3CCCO3)ccc21
InChIInChI=1S/C16H21NO3/c1-17-14-6-4-11(9-12(14)10-16(17)19)15(18)7-5-13-3-2-8-20-13/h4,6,9,13,15,18H,2-3,5,7-8,10H2,1H3
InChIKeyBZJGCUAWVITYGY-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.20
Rot. Bonds4

About 5-[1-hydroxy-3-(oxolan-2-yl)propyl]-1-methyl-3H-indol-2-one

5-[1-hydroxy-3-(oxolan-2-yl)propyl]-1-methyl-3H-indol-2-one (PubChem CID 65160268) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 5-[1-hydroxy-3-(oxolan-2-yl)propyl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[1-hydroxy-3-(oxolan-2-yl)propyl]-1-methyl-3H-indol-2-one
PubChem CID65160268
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name5-[1-hydroxy-3-(oxolan-2-yl)propyl]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(O)CCC3CCCO3)ccc21
InChIInChI=1S/C16H21NO3/c1-17-14-6-4-11(9-12(14)10-16(17)19)15(18)7-5-13-3-2-8-20-13/h4,6,9,13,15,18H,2-3,5,7-8,10H2,1H3
InChIKeyBZJGCUAWVITYGY-UHFFFAOYSA-N
XLogP2.20
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-5-[3-(oxan-2-yl)propanoyl]-3H-indol-2-one
CID 63951120
1-(1,3-dihydro-2-benzofuran-5-yl)-3-(oxolan-2-yl)propan-1-ol
CID 65158240
5-[cyclopropyl(hydroxy)methyl]-1-methyl-3H-indol-2-one
CID 61088335
5-[(1R)-1-hydroxyethyl]-1-methyl-3H-indol-2-one
CID 82758338
7-[1-hydroxy-3-(oxolan-2-yl)propyl]-3,4-dihydro-2H-isoquinolin-1-one
CID 65157947
5-(1-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one
CID 61087220
1-(4-methoxyphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65160366
1-(3-chloro-4-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65167485
1-(4-chloro-3-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65161657
1-(2-methyl-4-pyridinyl)-3-(oxolan-2-yl)propan-1-ol
CID 106756236
1-(3-bromophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65161913
1-(6-methyl-3-pyridinyl)-3-(oxolan-2-yl)propan-1-ol
CID 104822985

Frequently Asked Questions

What is the IUPAC name of 5-[1-hydroxy-3-(oxolan-2-yl)propyl]-1-methyl-3H-indol-2-one?
The IUPAC name of 5-[1-hydroxy-3-(oxolan-2-yl)propyl]-1-methyl-3H-indol-2-one (CID 65160268) is 5-[1-hydroxy-3-(oxolan-2-yl)propyl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-[1-hydroxy-3-(oxolan-2-yl)propyl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-[1-hydroxy-3-(oxolan-2-yl)propyl]-1-methyl-3H-indol-2-one is CN1C(=O)Cc2cc(C(O)CCC3CCCO3)ccc21.
What is the InChIKey of 5-[1-hydroxy-3-(oxolan-2-yl)propyl]-1-methyl-3H-indol-2-one?
The InChIKey is BZJGCUAWVITYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-17-14-6-4-11(9-12(14)10-16(17)19)15(18)7-5-13-3-2-8-20-13/h4,6,9,13,15,18H,2-3,5,7-8,10H2,1H3.
What are the key properties of 5-[1-hydroxy-3-(oxolan-2-yl)propyl]-1-methyl-3H-indol-2-one?
5-[1-hydroxy-3-(oxolan-2-yl)propyl]-1-methyl-3H-indol-2-one has a molecular weight of 275.35 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-hydroxy-3-(oxolan-2-yl)propyl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 65160268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).