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

C6H13NO — CID 55298772

IUPAC(3R)-3-methyl-1,4-oxazepane
SMILESC[C@@H]1COCCCN1
InChIInChI=1S/C6H13NO/c1-6-5-8-4-2-3-7-6/h6-7H,2-5H2,1H3/t6-/m1/s1
InChIKeyJXXVNJUPCPLXJI-ZCFIWIBFSA-N
MW115.18 g/mol
LogP0.38
Rot. Bonds

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

(3R)-3-methyl-1,4-oxazepane (PubChem CID 55298772) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is (3R)-3-methyl-1,4-oxazepane.

Molecular Properties

Compound Name(3R)-3-methyl-1,4-oxazepane
PubChem CID55298772
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name(3R)-3-methyl-1,4-oxazepane
SMILESC[C@@H]1COCCCN1
InChIInChI=1S/C6H13NO/c1-6-5-8-4-2-3-7-6/h6-7H,2-5H2,1H3/t6-/m1/s1
InChIKeyJXXVNJUPCPLXJI-ZCFIWIBFSA-N
XLogP0.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;(3S)-3-methylmorpholine
CID 145275253
3-methylmorpholine;hydrobromide
CID 173415172
(3S)-3-methylmorpholine;molecular hydrogen
CID 144559073
3,3-dideuterio-5-methylmorpholine
CID 175104170
3-chloro-1,4-oxazepane
CID 90165032
3-propan-2-yl-1,4-oxazepane
CID 82354623
4-methyl-1,3-oxazolidine;(4R)-4-methyl-1,3-oxazolidine
CID 161279411
3-(trifluoromethyl)-1,4-oxazepane
CID 82597850
3-methylmorpholine;2-propan-2-ylpyrrolidin-1-ide;rhenium
CID 155589776
ethane;2-methyl-1,3-oxazinane
CID 142204498
4-methyl-1-(oxolan-3-yl)-1,5-diazocane
CID 80716222
2,5-dimethyl-1-(oxan-3-yl)piperazine
CID 64937625

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1,4-oxazepane?
The IUPAC name of (3R)-3-methyl-1,4-oxazepane (CID 55298772) is (3R)-3-methyl-1,4-oxazepane.
What is the SMILES notation for (3R)-3-methyl-1,4-oxazepane?
The canonical SMILES for (3R)-3-methyl-1,4-oxazepane is C[C@@H]1COCCCN1.
What is the InChIKey of (3R)-3-methyl-1,4-oxazepane?
The InChIKey is JXXVNJUPCPLXJI-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H13NO/c1-6-5-8-4-2-3-7-6/h6-7H,2-5H2,1H3/t6-/m1/s1.
What are the key properties of (3R)-3-methyl-1,4-oxazepane?
(3R)-3-methyl-1,4-oxazepane has a molecular weight of 115.18 g/mol, XLogP of 0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1,4-oxazepane is sourced from PubChem (CID 55298772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).