4-(4-hydroxy-4-methylazepan-1-yl)butan-2-one

C11H21NO2 — CID 107405316

IUPAC4-(4-hydroxy-4-methylazepan-1-yl)butan-2-one
SMILESCC(=O)CCN1CCCC(C)(O)CC1
InChIInChI=1S/C11H21NO2/c1-10(13)4-8-12-7-3-5-11(2,14)6-9-12/h14H,3-9H2,1-2H3
InChIKeyWJLFDTXTJLRIDK-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.20
Rot. Bonds3

About 4-(4-hydroxy-4-methylazepan-1-yl)butan-2-one

4-(4-hydroxy-4-methylazepan-1-yl)butan-2-one (PubChem CID 107405316) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4-(4-hydroxy-4-methylazepan-1-yl)butan-2-one.

Molecular Properties

Compound Name4-(4-hydroxy-4-methylazepan-1-yl)butan-2-one
PubChem CID107405316
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4-(4-hydroxy-4-methylazepan-1-yl)butan-2-one
SMILESCC(=O)CCN1CCCC(C)(O)CC1
InChIInChI=1S/C11H21NO2/c1-10(13)4-8-12-7-3-5-11(2,14)6-9-12/h14H,3-9H2,1-2H3
InChIKeyWJLFDTXTJLRIDK-UHFFFAOYSA-N
XLogP1.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-hydroxy-4-methylazepan-1-yl)pentanoic acid
CID 107405145
N-ethyl-3-(4-hydroxy-4-methylazepan-1-yl)propanamide
CID 107408256
N-[2-(4-hydroxy-4-methylazepan-1-yl)ethyl]acetamide
CID 107408085
4-(8-azaspiro[4.5]decan-8-yl)butan-2-one
CID 63158919
5-(4,4-dimethylazepan-1-yl)pentan-2-one
CID 65282476
1-(3-chloropropyl)-4-methylazepan-4-ol
CID 107407609
4-(3-hydroxy-3-methylazetidin-1-yl)butan-2-one
CID 130847612
4-(3-methoxy-3-methylpiperidin-1-yl)butan-2-one
CID 107393646
5-(4-hydroxy-4-methylazepan-1-yl)pentanenitrile
CID 107404558
3-(4-hydroxy-4-methylazepan-1-yl)-1-(3-methylphenyl)propan-1-one
CID 107408651
4-(4-methyl-1,4-diazepan-1-yl)butan-2-one
CID 28830199
N-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethyl]acetamide
CID 58837148

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-4-methylazepan-1-yl)butan-2-one?
The IUPAC name of 4-(4-hydroxy-4-methylazepan-1-yl)butan-2-one (CID 107405316) is 4-(4-hydroxy-4-methylazepan-1-yl)butan-2-one.
What is the SMILES notation for 4-(4-hydroxy-4-methylazepan-1-yl)butan-2-one?
The canonical SMILES for 4-(4-hydroxy-4-methylazepan-1-yl)butan-2-one is CC(=O)CCN1CCCC(C)(O)CC1.
What is the InChIKey of 4-(4-hydroxy-4-methylazepan-1-yl)butan-2-one?
The InChIKey is WJLFDTXTJLRIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-10(13)4-8-12-7-3-5-11(2,14)6-9-12/h14H,3-9H2,1-2H3.
What are the key properties of 4-(4-hydroxy-4-methylazepan-1-yl)butan-2-one?
4-(4-hydroxy-4-methylazepan-1-yl)butan-2-one has a molecular weight of 199.29 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-4-methylazepan-1-yl)butan-2-one is sourced from PubChem (CID 107405316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).