morpholine

C4H9NO — CID 8083

IUPACmorpholine
SMILESC1COCCN1
InChIInChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2
InChIKeyYNAVUWVOSKDBBP-UHFFFAOYSA-N
MW87.12 g/mol
LogP-0.39
Rot. Bonds

About morpholine

morpholine (PubChem CID 8083) has the molecular formula C4H9NO and a molecular weight of 87.12 g/mol. Its IUPAC name is morpholine.

Molecular Properties

Compound Namemorpholine
PubChem CID8083
Molecular FormulaC4H9NO
Molecular Weight87.12 g/mol
Exact Mass87.07
IUPAC Namemorpholine
SMILESC1COCCN1
InChIInChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2
InChIKeyYNAVUWVOSKDBBP-UHFFFAOYSA-N
XLogP-0.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.12
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-Dimethylmorpholine
CID 110862
2-Morpholinoethylamine
CID 408285
2,6-Dimethylmorpholine, cis-
CID 641500
Morpholine, hydrochloride (1:1)
CID 197884
3,5-Dimethylmorpholine
CID 8862
3-Methylmorpholine
CID 292103
(T-4)-Trihydro(morpholine-kappaN4)boron
CID 517361
2-Ethoxy-N-methylethanamine
CID 18324766
2-Methylmorpholine
CID 410615
(2R)-2-methylmorpholine
CID 641497
Morpholin-4-ium hexafluorophosphate
CID 2775714
Morpholine Hydrobromide
CID 12196067

Frequently Asked Questions

What is the IUPAC name of morpholine?
The IUPAC name of morpholine (CID 8083) is morpholine.
What is the SMILES notation for morpholine?
The canonical SMILES for morpholine is C1COCCN1.
What is the InChIKey of morpholine?
The InChIKey is YNAVUWVOSKDBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2.
What are the key properties of morpholine?
morpholine has a molecular weight of 87.12 g/mol, XLogP of -0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for morpholine is sourced from PubChem (CID 8083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).