(3S)-3-methylmorpholine;molecular hydrogen

C5H13NO — CID 144559073

IUPAC(3S)-3-methylmorpholine;molecular hydrogen
SMILESC[C@H]1COCCN1.[H][H]
InChIInChI=1S/C5H11NO.H2/c1-5-4-7-3-2-6-5;/h5-6H,2-4H2,1H3;1H/t5-;/m0./s1
InChIKeyZSYVMIQTGQDDFH-JEDNCBNOSA-N
MW103.16 g/mol
LogP0.24
Rot. Bonds

About (3S)-3-methylmorpholine;molecular hydrogen

(3S)-3-methylmorpholine;molecular hydrogen (PubChem CID 144559073) has the molecular formula C5H13NO and a molecular weight of 103.16 g/mol. Its IUPAC name is (3S)-3-methylmorpholine;molecular hydrogen.

Molecular Properties

Compound Name(3S)-3-methylmorpholine;molecular hydrogen
PubChem CID144559073
Molecular FormulaC5H13NO
Molecular Weight103.16 g/mol
Exact Mass103.10
IUPAC Name(3S)-3-methylmorpholine;molecular hydrogen
SMILESC[C@H]1COCCN1.[H][H]
InChIInChI=1S/C5H11NO.H2/c1-5-4-7-3-2-6-5;/h5-6H,2-4H2,1H3;1H/t5-;/m0./s1
InChIKeyZSYVMIQTGQDDFH-JEDNCBNOSA-N
XLogP0.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.16
LogP ≤ 50.24
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
(3R)-3-methyl-1,4-oxazepane
CID 55298772
3,3-dideuterio-5-methylmorpholine
CID 175104170
(6S)-5,6-dimethyl-1,4-oxazepane
CID 166079644
4-methyl-1,3-oxazolidine;(4R)-4-methyl-1,3-oxazolidine
CID 161279411
(3S)-3-[(3S)-morpholin-3-yl]morpholine
CID 11693975
3-methylmorpholine;2-propan-2-ylpyrrolidin-1-ide;rhenium
CID 155589776
(3S)-3-iodomorpholine
CID 89004392
(3S)-3-[(E)-prop-1-enyl]morpholine
CID 130456764
3-tert-butylmorpholine;methanamine
CID 144581691
N-methyl-N-propylmorpholin-3-amine
CID 54007950

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methylmorpholine;molecular hydrogen?
The IUPAC name of (3S)-3-methylmorpholine;molecular hydrogen (CID 144559073) is (3S)-3-methylmorpholine;molecular hydrogen.
What is the SMILES notation for (3S)-3-methylmorpholine;molecular hydrogen?
The canonical SMILES for (3S)-3-methylmorpholine;molecular hydrogen is C[C@H]1COCCN1.[H][H].
What is the InChIKey of (3S)-3-methylmorpholine;molecular hydrogen?
The InChIKey is ZSYVMIQTGQDDFH-JEDNCBNOSA-N. The full InChI is InChI=1S/C5H11NO.H2/c1-5-4-7-3-2-6-5;/h5-6H,2-4H2,1H3;1H/t5-;/m0./s1.
What are the key properties of (3S)-3-methylmorpholine;molecular hydrogen?
(3S)-3-methylmorpholine;molecular hydrogen has a molecular weight of 103.16 g/mol, XLogP of 0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methylmorpholine;molecular hydrogen is sourced from PubChem (CID 144559073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).