5-(1-hydroxypentyl)-1,3,3-trimethylindol-2-one

C16H23NO2 — CID 82172354

IUPAC5-(1-hydroxypentyl)-1,3,3-trimethylindol-2-one
SMILESCCCCC(O)c1ccc2c(c1)C(C)(C)C(=O)N2C
InChIInChI=1S/C16H23NO2/c1-5-6-7-14(18)11-8-9-13-12(10-11)16(2,3)15(19)17(13)4/h8-10,14,18H,5-7H2,1-4H3
InChIKeyNOWCBMIKSJRASN-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.16
Rot. Bonds4

About 5-(1-hydroxypentyl)-1,3,3-trimethylindol-2-one

5-(1-hydroxypentyl)-1,3,3-trimethylindol-2-one (PubChem CID 82172354) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 5-(1-hydroxypentyl)-1,3,3-trimethylindol-2-one.

Molecular Properties

Compound Name5-(1-hydroxypentyl)-1,3,3-trimethylindol-2-one
PubChem CID82172354
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name5-(1-hydroxypentyl)-1,3,3-trimethylindol-2-one
SMILESCCCCC(O)c1ccc2c(c1)C(C)(C)C(=O)N2C
InChIInChI=1S/C16H23NO2/c1-5-6-7-14(18)11-8-9-13-12(10-11)16(2,3)15(19)17(13)4/h8-10,14,18H,5-7H2,1-4H3
InChIKeyNOWCBMIKSJRASN-UHFFFAOYSA-N
XLogP3.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxypentyl)-1,3,3-trimethylindol-2-one?
The IUPAC name of 5-(1-hydroxypentyl)-1,3,3-trimethylindol-2-one (CID 82172354) is 5-(1-hydroxypentyl)-1,3,3-trimethylindol-2-one.
What is the SMILES notation for 5-(1-hydroxypentyl)-1,3,3-trimethylindol-2-one?
The canonical SMILES for 5-(1-hydroxypentyl)-1,3,3-trimethylindol-2-one is CCCCC(O)c1ccc2c(c1)C(C)(C)C(=O)N2C.
What is the InChIKey of 5-(1-hydroxypentyl)-1,3,3-trimethylindol-2-one?
The InChIKey is NOWCBMIKSJRASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-5-6-7-14(18)11-8-9-13-12(10-11)16(2,3)15(19)17(13)4/h8-10,14,18H,5-7H2,1-4H3.
What are the key properties of 5-(1-hydroxypentyl)-1,3,3-trimethylindol-2-one?
5-(1-hydroxypentyl)-1,3,3-trimethylindol-2-one has a molecular weight of 261.36 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxypentyl)-1,3,3-trimethylindol-2-one is sourced from PubChem (CID 82172354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).