3-methyl-1-morpholin-4-ylbut-3-en-2-ol

C9H17NO2 — CID 13415301

IUPAC3-methyl-1-morpholin-4-ylbut-3-en-2-ol
SMILESC=C(C)C(O)CN1CCOCC1
InChIInChI=1S/C9H17NO2/c1-8(2)9(11)7-10-3-5-12-6-4-10/h9,11H,1,3-7H2,2H3
InChIKeyWRFYNXNBVSIHDJ-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.26
Rot. Bonds3

About 3-methyl-1-morpholin-4-ylbut-3-en-2-ol

3-methyl-1-morpholin-4-ylbut-3-en-2-ol (PubChem CID 13415301) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-methyl-1-morpholin-4-ylbut-3-en-2-ol.

Molecular Properties

Compound Name3-methyl-1-morpholin-4-ylbut-3-en-2-ol
PubChem CID13415301
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-methyl-1-morpholin-4-ylbut-3-en-2-ol
SMILESC=C(C)C(O)CN1CCOCC1
InChIInChI=1S/C9H17NO2/c1-8(2)9(11)7-10-3-5-12-6-4-10/h9,11H,1,3-7H2,2H3
InChIKeyWRFYNXNBVSIHDJ-UHFFFAOYSA-N
XLogP0.26
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylprop-2-enylamino)-3-morpholin-4-ylpropan-2-ol
CID 115574800
1-[methyl(2-methylprop-2-enyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 71859849
1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-2-ol
CID 129310449
2-methylidene-N-(1-morpholin-4-ylpropan-2-yl)butan-1-amine
CID 66047361
(2S)-3-morpholin-4-ylpropane-1,2-diol
CID 1268043
[(2S)-2-hydroxy-3-morpholin-4-ylpropyl] acetate
CID 71177850
1-chloro-3-morpholin-4-ylpropan-2-ol
CID 10080987
(2S)-1-(methylamino)-3-morpholin-4-ylpropan-2-ol
CID 7201085
1-(2-methylcyclopropyl)-2-morpholin-4-ylethanol
CID 123715170
1-(1-methylpyrrolidin-3-yl)-2-morpholin-4-ylethanol
CID 117237207
1-morpholin-4-ylheptan-2-ol
CID 15312312
1-[10-(2-hydroxypropyl)-7-propyl-1-oxa-4,7,10-triazacyclododec-4-yl]propan-2-ol
CID 142476457

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-morpholin-4-ylbut-3-en-2-ol?
The IUPAC name of 3-methyl-1-morpholin-4-ylbut-3-en-2-ol (CID 13415301) is 3-methyl-1-morpholin-4-ylbut-3-en-2-ol.
What is the SMILES notation for 3-methyl-1-morpholin-4-ylbut-3-en-2-ol?
The canonical SMILES for 3-methyl-1-morpholin-4-ylbut-3-en-2-ol is C=C(C)C(O)CN1CCOCC1.
What is the InChIKey of 3-methyl-1-morpholin-4-ylbut-3-en-2-ol?
The InChIKey is WRFYNXNBVSIHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(2)9(11)7-10-3-5-12-6-4-10/h9,11H,1,3-7H2,2H3.
What are the key properties of 3-methyl-1-morpholin-4-ylbut-3-en-2-ol?
3-methyl-1-morpholin-4-ylbut-3-en-2-ol has a molecular weight of 171.24 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-morpholin-4-ylbut-3-en-2-ol is sourced from PubChem (CID 13415301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).