(3R)-3,4-dimethyl-1,4-oxazepane

C7H15NO — CID 67472015

IUPAC(3R)-3,4-dimethyl-1,4-oxazepane
SMILESC[C@@H]1COCCCN1C
InChIInChI=1S/C7H15NO/c1-7-6-9-5-3-4-8(7)2/h7H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyLOMRGWSMTITYJF-SSDOTTSWSA-N
MW129.20 g/mol
LogP0.73
Rot. Bonds

About (3R)-3,4-dimethyl-1,4-oxazepane

(3R)-3,4-dimethyl-1,4-oxazepane (PubChem CID 67472015) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (3R)-3,4-dimethyl-1,4-oxazepane.

Molecular Properties

Compound Name(3R)-3,4-dimethyl-1,4-oxazepane
PubChem CID67472015
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(3R)-3,4-dimethyl-1,4-oxazepane
SMILESC[C@@H]1COCCCN1C
InChIInChI=1S/C7H15NO/c1-7-6-9-5-3-4-8(7)2/h7H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyLOMRGWSMTITYJF-SSDOTTSWSA-N
XLogP0.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3R)-3,4-dimethyl-1,4-oxazepane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3,4-dimethyl-1,4-oxazepane?
The IUPAC name of (3R)-3,4-dimethyl-1,4-oxazepane (CID 67472015) is (3R)-3,4-dimethyl-1,4-oxazepane.
What is the SMILES notation for (3R)-3,4-dimethyl-1,4-oxazepane?
The canonical SMILES for (3R)-3,4-dimethyl-1,4-oxazepane is C[C@@H]1COCCCN1C.
What is the InChIKey of (3R)-3,4-dimethyl-1,4-oxazepane?
The InChIKey is LOMRGWSMTITYJF-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H15NO/c1-7-6-9-5-3-4-8(7)2/h7H,3-6H2,1-2H3/t7-/m1/s1.
What are the key properties of (3R)-3,4-dimethyl-1,4-oxazepane?
(3R)-3,4-dimethyl-1,4-oxazepane has a molecular weight of 129.20 g/mol, XLogP of 0.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,4-dimethyl-1,4-oxazepane is sourced from PubChem (CID 67472015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).