(6S)-5,6-dimethyl-1,4-oxazepane

C7H15NO — CID 166079644

IUPAC(6S)-5,6-dimethyl-1,4-oxazepane
SMILESCC1NCCOC[C@H]1C
InChIInChI=1S/C7H15NO/c1-6-5-9-4-3-8-7(6)2/h6-8H,3-5H2,1-2H3/t6-,7?/m1/s1
InChIKeyPWWIABCDBRNBNS-ULUSZKPHSA-N
MW129.20 g/mol
LogP0.63
Rot. Bonds

About (6S)-5,6-dimethyl-1,4-oxazepane

(6S)-5,6-dimethyl-1,4-oxazepane (PubChem CID 166079644) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (6S)-5,6-dimethyl-1,4-oxazepane.

Molecular Properties

Compound Name(6S)-5,6-dimethyl-1,4-oxazepane
PubChem CID166079644
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(6S)-5,6-dimethyl-1,4-oxazepane
SMILESCC1NCCOC[C@H]1C
InChIInChI=1S/C7H15NO/c1-6-5-9-4-3-8-7(6)2/h6-8H,3-5H2,1-2H3/t6-,7?/m1/s1
InChIKeyPWWIABCDBRNBNS-ULUSZKPHSA-N
XLogP0.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (6S)-5,6-dimethyl-1,4-oxazepane?
The IUPAC name of (6S)-5,6-dimethyl-1,4-oxazepane (CID 166079644) is (6S)-5,6-dimethyl-1,4-oxazepane.
What is the SMILES notation for (6S)-5,6-dimethyl-1,4-oxazepane?
The canonical SMILES for (6S)-5,6-dimethyl-1,4-oxazepane is CC1NCCOC[C@H]1C.
What is the InChIKey of (6S)-5,6-dimethyl-1,4-oxazepane?
The InChIKey is PWWIABCDBRNBNS-ULUSZKPHSA-N. The full InChI is InChI=1S/C7H15NO/c1-6-5-9-4-3-8-7(6)2/h6-8H,3-5H2,1-2H3/t6-,7?/m1/s1.
What are the key properties of (6S)-5,6-dimethyl-1,4-oxazepane?
(6S)-5,6-dimethyl-1,4-oxazepane has a molecular weight of 129.20 g/mol, XLogP of 0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-5,6-dimethyl-1,4-oxazepane is sourced from PubChem (CID 166079644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).