(2S,5S)-2-but-3-enyl-5-prop-2-enylmorpholine

C11H19NO — CID 46222745

IUPAC(2S,5S)-2-but-3-enyl-5-prop-2-enylmorpholine
SMILESC=CCC[C@H]1CN[C@@H](CC=C)CO1
InChIInChI=1S/C11H19NO/c1-3-5-7-11-8-12-10(6-4-2)9-13-11/h3-4,10-12H,1-2,5-9H2/t10-,11-/m0/s1
InChIKeyFTZDPFAFUPBMBA-QWRGUYRKSA-N
MW181.28 g/mol
LogP1.89
Rot. Bonds5

About (2S,5S)-2-but-3-enyl-5-prop-2-enylmorpholine

(2S,5S)-2-but-3-enyl-5-prop-2-enylmorpholine (PubChem CID 46222745) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (2S,5S)-2-but-3-enyl-5-prop-2-enylmorpholine.

Molecular Properties

Compound Name(2S,5S)-2-but-3-enyl-5-prop-2-enylmorpholine
PubChem CID46222745
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(2S,5S)-2-but-3-enyl-5-prop-2-enylmorpholine
SMILESC=CCC[C@H]1CN[C@@H](CC=C)CO1
InChIInChI=1S/C11H19NO/c1-3-5-7-11-8-12-10(6-4-2)9-13-11/h3-4,10-12H,1-2,5-9H2/t10-,11-/m0/s1
InChIKeyFTZDPFAFUPBMBA-QWRGUYRKSA-N
XLogP1.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.89
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

Morpholine, 5-(2,4-heptadienyl)-2-methyl-
CID 5375413
2-Prop-2-enylmorpholine
CID 20536842
3-Allylmorpholine
CID 22167287
4-(Pent-4-en-1-yloxy)piperidine
CID 53409914
N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine
CID 62065418
N-but-3-enyloxan-3-amine
CID 64313076
N-(oxan-2-ylmethyl)but-3-en-1-amine
CID 64313742
2-Pent-4-en-2-ylmorpholine
CID 66612517
2-Pent-4-enylmorpholine
CID 66612518
Azane;2-prop-2-enylmorpholine
CID 66693360
1-morpholin-2-yl-N-prop-2-enylpropan-1-amine
CID 66900346
3-morpholin-2-yl-N-prop-2-enylpropan-1-amine
CID 66900347

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2-but-3-enyl-5-prop-2-enylmorpholine?
The IUPAC name of (2S,5S)-2-but-3-enyl-5-prop-2-enylmorpholine (CID 46222745) is (2S,5S)-2-but-3-enyl-5-prop-2-enylmorpholine.
What is the SMILES notation for (2S,5S)-2-but-3-enyl-5-prop-2-enylmorpholine?
The canonical SMILES for (2S,5S)-2-but-3-enyl-5-prop-2-enylmorpholine is C=CCC[C@H]1CN[C@@H](CC=C)CO1.
What is the InChIKey of (2S,5S)-2-but-3-enyl-5-prop-2-enylmorpholine?
The InChIKey is FTZDPFAFUPBMBA-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-5-7-11-8-12-10(6-4-2)9-13-11/h3-4,10-12H,1-2,5-9H2/t10-,11-/m0/s1.
What are the key properties of (2S,5S)-2-but-3-enyl-5-prop-2-enylmorpholine?
(2S,5S)-2-but-3-enyl-5-prop-2-enylmorpholine has a molecular weight of 181.28 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2-but-3-enyl-5-prop-2-enylmorpholine is sourced from PubChem (CID 46222745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).