1-[1-(2-hydroxy-2-methylpropyl)indol-3-yl]-2-methylpentan-1-one

C18H25NO2 — CID 134597134

IUPAC1-[1-(2-hydroxy-2-methylpropyl)indol-3-yl]-2-methylpentan-1-one
SMILESCCCC(C)C(=O)c1cn(CC(C)(C)O)c2ccccc12
InChIInChI=1S/C18H25NO2/c1-5-8-13(2)17(20)15-11-19(12-18(3,4)21)16-10-7-6-9-14(15)16/h6-7,9-11,13,21H,5,8,12H2,1-4H3
InChIKeyCPPQYMNLJCVGIW-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.03
Rot. Bonds6

About 1-[1-(2-hydroxy-2-methylpropyl)indol-3-yl]-2-methylpentan-1-one

1-[1-(2-hydroxy-2-methylpropyl)indol-3-yl]-2-methylpentan-1-one (PubChem CID 134597134) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 1-[1-(2-hydroxy-2-methylpropyl)indol-3-yl]-2-methylpentan-1-one.

Molecular Properties

Compound Name1-[1-(2-hydroxy-2-methylpropyl)indol-3-yl]-2-methylpentan-1-one
PubChem CID134597134
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name1-[1-(2-hydroxy-2-methylpropyl)indol-3-yl]-2-methylpentan-1-one
SMILESCCCC(C)C(=O)c1cn(CC(C)(C)O)c2ccccc12
InChIInChI=1S/C18H25NO2/c1-5-8-13(2)17(20)15-11-19(12-18(3,4)21)16-10-7-6-9-14(15)16/h6-7,9-11,13,21H,5,8,12H2,1-4H3
InChIKeyCPPQYMNLJCVGIW-UHFFFAOYSA-N
XLogP4.03
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromoindol-1-yl)-2-methylpropan-2-ol
CID 101209316
[1-(2-hydroxypentyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 132989410
1-(2-bromophenyl)-2-methylpentan-1-one
CID 107891390
[1-(2-fluoropentyl)indol-3-yl]-naphthalen-1-ylmethanone
CID 132989243
2-methyl-1-(1-methylindazol-3-yl)pentan-1-one
CID 107891232
[1-(2-hydroxypentyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone
CID 165361507
2-amino-1-(1-ethylindol-3-yl)-2-methylpropan-1-one;hydrochloride
CID 14069757
[1-(2-fluoropentyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone
CID 91707981
2-methyl-1-naphthalen-1-yldecan-1-one
CID 90112033
3,3-dimethyl-N-[1-[1-(2-methylpropyl)indole-3-carbonyl]azetidin-3-yl]butanamide
CID 167972694
1-(2-fluoropentyl)-N-naphthalen-1-ylindole-3-carboxamide
CID 132989244
4-amino-2-methyl-1-naphthalen-1-ylbutan-1-one
CID 116595056

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-hydroxy-2-methylpropyl)indol-3-yl]-2-methylpentan-1-one?
The IUPAC name of 1-[1-(2-hydroxy-2-methylpropyl)indol-3-yl]-2-methylpentan-1-one (CID 134597134) is 1-[1-(2-hydroxy-2-methylpropyl)indol-3-yl]-2-methylpentan-1-one.
What is the SMILES notation for 1-[1-(2-hydroxy-2-methylpropyl)indol-3-yl]-2-methylpentan-1-one?
The canonical SMILES for 1-[1-(2-hydroxy-2-methylpropyl)indol-3-yl]-2-methylpentan-1-one is CCCC(C)C(=O)c1cn(CC(C)(C)O)c2ccccc12.
What is the InChIKey of 1-[1-(2-hydroxy-2-methylpropyl)indol-3-yl]-2-methylpentan-1-one?
The InChIKey is CPPQYMNLJCVGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-5-8-13(2)17(20)15-11-19(12-18(3,4)21)16-10-7-6-9-14(15)16/h6-7,9-11,13,21H,5,8,12H2,1-4H3.
What are the key properties of 1-[1-(2-hydroxy-2-methylpropyl)indol-3-yl]-2-methylpentan-1-one?
1-[1-(2-hydroxy-2-methylpropyl)indol-3-yl]-2-methylpentan-1-one has a molecular weight of 287.40 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-hydroxy-2-methylpropyl)indol-3-yl]-2-methylpentan-1-one is sourced from PubChem (CID 134597134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).