3-acetyl-1,3-oxazepan-2-one

C7H11NO3 — CID 18702579

IUPAC3-acetyl-1,3-oxazepan-2-one
SMILESCC(=O)N1CCCCOC1=O
InChIInChI=1S/C7H11NO3/c1-6(9)8-4-2-3-5-11-7(8)10/h2-5H2,1H3
InChIKeyRXQNMHSSOQYHJT-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.77
Rot. Bonds

About 3-acetyl-1,3-oxazepan-2-one

3-acetyl-1,3-oxazepan-2-one (PubChem CID 18702579) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 3-acetyl-1,3-oxazepan-2-one.

Molecular Properties

Compound Name3-acetyl-1,3-oxazepan-2-one
PubChem CID18702579
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name3-acetyl-1,3-oxazepan-2-one
SMILESCC(=O)N1CCCCOC1=O
InChIInChI=1S/C7H11NO3/c1-6(9)8-4-2-3-5-11-7(8)10/h2-5H2,1H3
InChIKeyRXQNMHSSOQYHJT-UHFFFAOYSA-N
XLogP0.77
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetylazonan-2-one
CID 19035113
1-acetylazepan-2-one;methane
CID 158348937
3-(2-methylpropanoyl)-1,3-oxazolidin-2-one
CID 10397067
N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]acetamide
CID 110872096
3-[(2S)-2-hydroxypropanoyl]-1,3-oxazolidin-2-one
CID 71425573
N-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 57299740
3-[2-(azocan-1-yl)-2-oxoethyl]-1,3-oxazinan-2-one
CID 71974035
3-(3-methylbutanoyl)-1,3-oxazolidin-2-one
CID 10352137
3-(3-ethylpentyl)-1,3-oxazepan-2-one
CID 70290661
3-[(2R,3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]aziridine-2-carbonyl]-1,3-oxazolidin-2-one
CID 11821202
3-(azepan-1-yl)-1,3-oxazolidin-2-one
CID 130355886
3-(1,3-dihydroxy-2-methylpropan-2-yl)-1,3-oxazinan-2-one
CID 104550724

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1,3-oxazepan-2-one?
The IUPAC name of 3-acetyl-1,3-oxazepan-2-one (CID 18702579) is 3-acetyl-1,3-oxazepan-2-one.
What is the SMILES notation for 3-acetyl-1,3-oxazepan-2-one?
The canonical SMILES for 3-acetyl-1,3-oxazepan-2-one is CC(=O)N1CCCCOC1=O.
What is the InChIKey of 3-acetyl-1,3-oxazepan-2-one?
The InChIKey is RXQNMHSSOQYHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-6(9)8-4-2-3-5-11-7(8)10/h2-5H2,1H3.
What are the key properties of 3-acetyl-1,3-oxazepan-2-one?
3-acetyl-1,3-oxazepan-2-one has a molecular weight of 157.17 g/mol, XLogP of 0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1,3-oxazepan-2-one is sourced from PubChem (CID 18702579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).