(3S)-3-[(E)-prop-1-enyl]morpholine

C7H13NO — CID 130456764

IUPAC(3S)-3-[(E)-prop-1-enyl]morpholine
SMILESC/C=C/[C@H]1COCCN1
InChIInChI=1S/C7H13NO/c1-2-3-7-6-9-5-4-8-7/h2-3,7-8H,4-6H2,1H3/b3-2+/t7-/m0/s1
InChIKeyNPYGLIHNULSIDJ-AIYRYJHASA-N
MW127.19 g/mol
LogP0.55
Rot. Bonds1

About (3S)-3-[(E)-prop-1-enyl]morpholine

(3S)-3-[(E)-prop-1-enyl]morpholine (PubChem CID 130456764) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (3S)-3-[(E)-prop-1-enyl]morpholine.

Molecular Properties

Compound Name(3S)-3-[(E)-prop-1-enyl]morpholine
PubChem CID130456764
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(3S)-3-[(E)-prop-1-enyl]morpholine
SMILESC/C=C/[C@H]1COCCN1
InChIInChI=1S/C7H13NO/c1-2-3-7-6-9-5-4-8-7/h2-3,7-8H,4-6H2,1H3/b3-2+/t7-/m0/s1
InChIKeyNPYGLIHNULSIDJ-AIYRYJHASA-N
XLogP0.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-prop-1-enylaziridine
CID 147684232
3-[(E)-2-(3-fluoro-4-methylphenyl)ethenyl]morpholine
CID 104703995
ethane;(3S)-3-methylmorpholine
CID 145275253
3-methylmorpholine;hydrobromide
CID 173415172
2-methyl-1-morpholin-3-ylpropan-1-amine
CID 116941094
3-[(E)-2-(2-fluorophenyl)ethenyl]morpholine;hydrochloride
CID 22248189
(3S)-3-[(3S)-morpholin-3-yl]morpholine
CID 11693975
(3S)-3-methylmorpholine;molecular hydrogen
CID 144559073
3-[(E)-2-(4-nitrophenyl)ethenyl]morpholine
CID 104704027
3-[(E)-2-(4-bromo-2-chlorophenyl)ethenyl]morpholine
CID 104704035
3-propan-2-yl-1,4-oxazepane
CID 82354623
(6S)-5,6-dimethyl-1,4-oxazepane
CID 166079644

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(E)-prop-1-enyl]morpholine?
The IUPAC name of (3S)-3-[(E)-prop-1-enyl]morpholine (CID 130456764) is (3S)-3-[(E)-prop-1-enyl]morpholine.
What is the SMILES notation for (3S)-3-[(E)-prop-1-enyl]morpholine?
The canonical SMILES for (3S)-3-[(E)-prop-1-enyl]morpholine is C/C=C/[C@H]1COCCN1.
What is the InChIKey of (3S)-3-[(E)-prop-1-enyl]morpholine?
The InChIKey is NPYGLIHNULSIDJ-AIYRYJHASA-N. The full InChI is InChI=1S/C7H13NO/c1-2-3-7-6-9-5-4-8-7/h2-3,7-8H,4-6H2,1H3/b3-2+/t7-/m0/s1.
What are the key properties of (3S)-3-[(E)-prop-1-enyl]morpholine?
(3S)-3-[(E)-prop-1-enyl]morpholine has a molecular weight of 127.19 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(E)-prop-1-enyl]morpholine is sourced from PubChem (CID 130456764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).