5-(1-hydroxypentyl)-6,7-dimethyl-1,3-dihydroindol-2-one

C15H21NO2 — CID 82173058

IUPAC5-(1-hydroxypentyl)-6,7-dimethyl-1,3-dihydroindol-2-one
SMILESCCCCC(O)c1cc2c(c(C)c1C)NC(=O)C2
InChIInChI=1S/C15H21NO2/c1-4-5-6-13(17)12-7-11-8-14(18)16-15(11)10(3)9(12)2/h7,13,17H,4-6,8H2,1-3H3,(H,16,18)
InChIKeyOTJAGYKXFGIVQQ-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.02
Rot. Bonds4

About 5-(1-hydroxypentyl)-6,7-dimethyl-1,3-dihydroindol-2-one

5-(1-hydroxypentyl)-6,7-dimethyl-1,3-dihydroindol-2-one (PubChem CID 82173058) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 5-(1-hydroxypentyl)-6,7-dimethyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(1-hydroxypentyl)-6,7-dimethyl-1,3-dihydroindol-2-one
PubChem CID82173058
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name5-(1-hydroxypentyl)-6,7-dimethyl-1,3-dihydroindol-2-one
SMILESCCCCC(O)c1cc2c(c(C)c1C)NC(=O)C2
InChIInChI=1S/C15H21NO2/c1-4-5-6-13(17)12-7-11-8-14(18)16-15(11)10(3)9(12)2/h7,13,17H,4-6,8H2,1-3H3,(H,16,18)
InChIKeyOTJAGYKXFGIVQQ-UHFFFAOYSA-N
XLogP3.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxypentyl)-6,7-dimethyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-(1-hydroxypentyl)-6,7-dimethyl-1,3-dihydroindol-2-one (CID 82173058) is 5-(1-hydroxypentyl)-6,7-dimethyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(1-hydroxypentyl)-6,7-dimethyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(1-hydroxypentyl)-6,7-dimethyl-1,3-dihydroindol-2-one is CCCCC(O)c1cc2c(c(C)c1C)NC(=O)C2.
What is the InChIKey of 5-(1-hydroxypentyl)-6,7-dimethyl-1,3-dihydroindol-2-one?
The InChIKey is OTJAGYKXFGIVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-4-5-6-13(17)12-7-11-8-14(18)16-15(11)10(3)9(12)2/h7,13,17H,4-6,8H2,1-3H3,(H,16,18).
What are the key properties of 5-(1-hydroxypentyl)-6,7-dimethyl-1,3-dihydroindol-2-one?
5-(1-hydroxypentyl)-6,7-dimethyl-1,3-dihydroindol-2-one has a molecular weight of 247.34 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxypentyl)-6,7-dimethyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82173058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).