(2R,7S)-2,7-dimethyl-1,4-oxazepan-5-one

C7H13NO2 — CID 14921425

IUPAC(2R,7S)-2,7-dimethyl-1,4-oxazepan-5-one
SMILESC[C@@H]1CNC(=O)C[C@H](C)O1
InChIInChI=1S/C7H13NO2/c1-5-3-7(9)8-4-6(2)10-5/h5-6H,3-4H2,1-2H3,(H,8,9)/t5-,6+/m0/s1
InChIKeyUJXSVHMLTCSBEC-NTSWFWBYSA-N
MW143.19 g/mol
LogP0.30
Rot. Bonds

About (2R,7S)-2,7-dimethyl-1,4-oxazepan-5-one

(2R,7S)-2,7-dimethyl-1,4-oxazepan-5-one (PubChem CID 14921425) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (2R,7S)-2,7-dimethyl-1,4-oxazepan-5-one.

Molecular Properties

Compound Name(2R,7S)-2,7-dimethyl-1,4-oxazepan-5-one
PubChem CID14921425
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(2R,7S)-2,7-dimethyl-1,4-oxazepan-5-one
SMILESC[C@@H]1CNC(=O)C[C@H](C)O1
InChIInChI=1S/C7H13NO2/c1-5-3-7(9)8-4-6(2)10-5/h5-6H,3-4H2,1-2H3,(H,8,9)/t5-,6+/m0/s1
InChIKeyUJXSVHMLTCSBEC-NTSWFWBYSA-N
XLogP0.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,7S)-2,7-dimethyl-1,4-oxazepan-5-one?
The IUPAC name of (2R,7S)-2,7-dimethyl-1,4-oxazepan-5-one (CID 14921425) is (2R,7S)-2,7-dimethyl-1,4-oxazepan-5-one.
What is the SMILES notation for (2R,7S)-2,7-dimethyl-1,4-oxazepan-5-one?
The canonical SMILES for (2R,7S)-2,7-dimethyl-1,4-oxazepan-5-one is C[C@@H]1CNC(=O)C[C@H](C)O1.
What is the InChIKey of (2R,7S)-2,7-dimethyl-1,4-oxazepan-5-one?
The InChIKey is UJXSVHMLTCSBEC-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-5-3-7(9)8-4-6(2)10-5/h5-6H,3-4H2,1-2H3,(H,8,9)/t5-,6+/m0/s1.
What are the key properties of (2R,7S)-2,7-dimethyl-1,4-oxazepan-5-one?
(2R,7S)-2,7-dimethyl-1,4-oxazepan-5-one has a molecular weight of 143.19 g/mol, XLogP of 0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,7S)-2,7-dimethyl-1,4-oxazepan-5-one is sourced from PubChem (CID 14921425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).