2-(2-methyl-1,4-oxazepan-4-yl)pentan-3-one

C11H21NO2 — CID 64866930

IUPAC2-(2-methyl-1,4-oxazepan-4-yl)pentan-3-one
SMILESCCC(=O)C(C)N1CCCOC(C)C1
InChIInChI=1S/C11H21NO2/c1-4-11(13)10(3)12-6-5-7-14-9(2)8-12/h9-10H,4-8H2,1-3H3
InChIKeyYZYREMPOLWBMNJ-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.46
Rot. Bonds3

About 2-(2-methyl-1,4-oxazepan-4-yl)pentan-3-one

2-(2-methyl-1,4-oxazepan-4-yl)pentan-3-one (PubChem CID 64866930) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-(2-methyl-1,4-oxazepan-4-yl)pentan-3-one.

Molecular Properties

Compound Name2-(2-methyl-1,4-oxazepan-4-yl)pentan-3-one
PubChem CID64866930
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-(2-methyl-1,4-oxazepan-4-yl)pentan-3-one
SMILESCCC(=O)C(C)N1CCCOC(C)C1
InChIInChI=1S/C11H21NO2/c1-4-11(13)10(3)12-6-5-7-14-9(2)8-12/h9-10H,4-8H2,1-3H3
InChIKeyYZYREMPOLWBMNJ-UHFFFAOYSA-N
XLogP1.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2-methyl-1,4-oxazepan-4-yl)propanoate
CID 62972695
2-[2-(hydroxymethyl)morpholin-4-yl]pentan-3-one
CID 81204253
2-[3-(methoxymethyl)piperidin-1-yl]pentan-3-one
CID 106587759
1-(3,5-dimethylpiperidin-1-yl)-2-(2-methylmorpholin-4-yl)propan-1-one
CID 134055253
3-methyl-2-(2-methyl-1,4-oxazepan-4-yl)butanehydrazide
CID 63583173
1-(2,5-dimethylphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)propan-1-one
CID 62974335
1-(4-ethylphenyl)-2-(2-methylmorpholin-4-yl)propan-1-one
CID 43794581
2-amino-3-(2-methyl-1,4-oxazepan-4-yl)propanoic acid
CID 62972400
3-(2-methyl-1,4-oxazepan-4-yl)butanenitrile
CID 62988698
3-(2-methyl-1,4-oxazepan-4-yl)-N-propan-2-ylbutan-1-amine
CID 62974621
N-ethyl-2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)butan-1-amine
CID 81019358
methyl 2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentanoate
CID 64705542

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,4-oxazepan-4-yl)pentan-3-one?
The IUPAC name of 2-(2-methyl-1,4-oxazepan-4-yl)pentan-3-one (CID 64866930) is 2-(2-methyl-1,4-oxazepan-4-yl)pentan-3-one.
What is the SMILES notation for 2-(2-methyl-1,4-oxazepan-4-yl)pentan-3-one?
The canonical SMILES for 2-(2-methyl-1,4-oxazepan-4-yl)pentan-3-one is CCC(=O)C(C)N1CCCOC(C)C1.
What is the InChIKey of 2-(2-methyl-1,4-oxazepan-4-yl)pentan-3-one?
The InChIKey is YZYREMPOLWBMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-11(13)10(3)12-6-5-7-14-9(2)8-12/h9-10H,4-8H2,1-3H3.
What are the key properties of 2-(2-methyl-1,4-oxazepan-4-yl)pentan-3-one?
2-(2-methyl-1,4-oxazepan-4-yl)pentan-3-one has a molecular weight of 199.29 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,4-oxazepan-4-yl)pentan-3-one is sourced from PubChem (CID 64866930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).