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

C10H19NO2 — CID 64696480

IUPAC4-(1,4-oxazepan-4-yl)pentan-2-one
SMILESCC(=O)CC(C)N1CCCOCC1
InChIInChI=1S/C10H19NO2/c1-9(8-10(2)12)11-4-3-6-13-7-5-11/h9H,3-8H2,1-2H3
InChIKeyOSHYQRYKCXJFEK-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.08
Rot. Bonds3

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

4-(1,4-oxazepan-4-yl)pentan-2-one (PubChem CID 64696480) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-(1,4-oxazepan-4-yl)pentan-2-one.

Molecular Properties

Compound Name4-(1,4-oxazepan-4-yl)pentan-2-one
PubChem CID64696480
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name4-(1,4-oxazepan-4-yl)pentan-2-one
SMILESCC(=O)CC(C)N1CCCOCC1
InChIInChI=1S/C10H19NO2/c1-9(8-10(2)12)11-4-3-6-13-7-5-11/h9H,3-8H2,1-2H3
InChIKeyOSHYQRYKCXJFEK-UHFFFAOYSA-N
XLogP1.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,4-oxazepan-4-yl)butanethioamide
CID 62988867
4-(1,4-oxazepan-4-yl)pentan-2-amine
CID 64708259
4-(2-methylmorpholin-4-yl)pentan-2-one
CID 64697902
4-propan-2-yl-1,4-oxazepane;hydrate
CID 176712925
ethane;2-morpholin-4-ylpropan-1-ol
CID 142923575
2-morpholin-4-ylpropyl 2-methylpropanoate
CID 131966450
2-methyl-N-(2-morpholin-4-ylpropyl)prop-2-enamide
CID 102248451
N-(2-methylpropyl)-3-(1,4-oxazepan-4-yl)butan-1-amine
CID 62973036
tert-butyl 2-(1,4-oxazepan-4-yl)propanoate
CID 64687533
4-(4-methoxypiperidin-1-yl)pentan-2-one
CID 64699120
4-(1-methylsulfinylpropan-2-yl)morpholine
CID 173186907
4-(3,4-dihydroxypyrrolidin-1-yl)pentan-2-one
CID 106670355

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-oxazepan-4-yl)pentan-2-one?
The IUPAC name of 4-(1,4-oxazepan-4-yl)pentan-2-one (CID 64696480) is 4-(1,4-oxazepan-4-yl)pentan-2-one.
What is the SMILES notation for 4-(1,4-oxazepan-4-yl)pentan-2-one?
The canonical SMILES for 4-(1,4-oxazepan-4-yl)pentan-2-one is CC(=O)CC(C)N1CCCOCC1.
What is the InChIKey of 4-(1,4-oxazepan-4-yl)pentan-2-one?
The InChIKey is OSHYQRYKCXJFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-9(8-10(2)12)11-4-3-6-13-7-5-11/h9H,3-8H2,1-2H3.
What are the key properties of 4-(1,4-oxazepan-4-yl)pentan-2-one?
4-(1,4-oxazepan-4-yl)pentan-2-one has a molecular weight of 185.27 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-oxazepan-4-yl)pentan-2-one is sourced from PubChem (CID 64696480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).