4-methylmorpholine

C5H11NO — CID 7972

IUPAC4-methylmorpholine
SMILESCN1CCOCC1
InChIInChI=1S/C5H11NO/c1-6-2-4-7-5-3-6/h2-5H2,1H3
InChIKeySJRJJKPEHAURKC-UHFFFAOYSA-N
MW101.15 g/mol
LogP-0.05
Rot. Bonds

About 4-methylmorpholine

4-methylmorpholine (PubChem CID 7972) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is 4-methylmorpholine.

Molecular Properties

Compound Name4-methylmorpholine
PubChem CID7972
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name4-methylmorpholine
SMILESCN1CCOCC1
InChIInChI=1S/C5H11NO/c1-6-2-4-7-5-3-6/h2-5H2,1H3
InChIKeySJRJJKPEHAURKC-UHFFFAOYSA-N
XLogP-0.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Morpholinoethanol
CID 61163
Ethylmorpholine
CID 7525
Methyl morpholine oxide
CID 82029
4-Morpholineacetonitrile
CID 22055
Morpholine, 4-(1-methylethyl)-
CID 73998
4-Butylmorpholine
CID 70499
N-Methylmorpholine N-oxide monohydrate
CID 2724197
N-(2-Dimethylaminoethyl)morpholine
CID 78091
Morphol
CID 159942
Morpholinium, 4,4-dimethyl-, iodide (1:1)
CID 102256
4-Morpholinecarbonitrile
CID 73738
4-(2-Propyn-1-yl)morpholine
CID 412941

Frequently Asked Questions

What is the IUPAC name of 4-methylmorpholine?
The IUPAC name of 4-methylmorpholine (CID 7972) is 4-methylmorpholine.
What is the SMILES notation for 4-methylmorpholine?
The canonical SMILES for 4-methylmorpholine is CN1CCOCC1.
What is the InChIKey of 4-methylmorpholine?
The InChIKey is SJRJJKPEHAURKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-6-2-4-7-5-3-6/h2-5H2,1H3.
What are the key properties of 4-methylmorpholine?
4-methylmorpholine has a molecular weight of 101.15 g/mol, XLogP of -0.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylmorpholine is sourced from PubChem (CID 7972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).