(2S)-2-methoxy-1-morpholin-4-ylpent-4-en-1-one

C10H17NO3 — CID 101105012

IUPAC(2S)-2-methoxy-1-morpholin-4-ylpent-4-en-1-one
SMILESC=CC[C@H](OC)C(=O)N1CCOCC1
InChIInChI=1S/C10H17NO3/c1-3-4-9(13-2)10(12)11-5-7-14-8-6-11/h3,9H,1,4-8H2,2H3/t9-/m0/s1
InChIKeyIBLRLODMZFJURY-VIFPVBQESA-N
MW199.25 g/mol
LogP0.44
Rot. Bonds4

About (2S)-2-methoxy-1-morpholin-4-ylpent-4-en-1-one

(2S)-2-methoxy-1-morpholin-4-ylpent-4-en-1-one (PubChem CID 101105012) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is (2S)-2-methoxy-1-morpholin-4-ylpent-4-en-1-one.

Molecular Properties

Compound Name(2S)-2-methoxy-1-morpholin-4-ylpent-4-en-1-one
PubChem CID101105012
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name(2S)-2-methoxy-1-morpholin-4-ylpent-4-en-1-one
SMILESC=CC[C@H](OC)C(=O)N1CCOCC1
InChIInChI=1S/C10H17NO3/c1-3-4-9(13-2)10(12)11-5-7-14-8-6-11/h3,9H,1,4-8H2,2H3/t9-/m0/s1
InChIKeyIBLRLODMZFJURY-VIFPVBQESA-N
XLogP0.44
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Morpholin-4-ylpent-4-en-1-one
CID 19855871
2-Methyl-1-morpholin-4-ylpent-4-en-1-one
CID 22628680
2-[(1-Methyl-2-propen-1-yl)oxy]-1-(4-morpholinyl)ethanone
CID 70497158
4-But-3-enoylmorpholin-3-one
CID 135001426
(E)-1-morpholin-4-yloct-4-en-1-one
CID 166437933
(2R)-2-methyl-1-morpholin-4-ylpent-4-en-1-one
CID 12084219
2-Prop-2-enylmorpholin-3-one
CID 21643035
6-Ethenyl-4-(3-propan-2-yloxypropyl)morpholin-3-one
CID 58549980
4-Butyl-6-ethenylmorpholin-3-one
CID 58550061
(2R)-1-morpholin-4-yl-2-prop-2-enoxypropan-1-one
CID 59430741
1-Morpholin-4-yl-2-pent-1-en-3-yloxyethanone
CID 68150571
1-[4-(2,3-Dihydrofuran-2-carbonyl)piperazin-1-yl]ethanone
CID 70309239

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-1-morpholin-4-ylpent-4-en-1-one?
The IUPAC name of (2S)-2-methoxy-1-morpholin-4-ylpent-4-en-1-one (CID 101105012) is (2S)-2-methoxy-1-morpholin-4-ylpent-4-en-1-one.
What is the SMILES notation for (2S)-2-methoxy-1-morpholin-4-ylpent-4-en-1-one?
The canonical SMILES for (2S)-2-methoxy-1-morpholin-4-ylpent-4-en-1-one is C=CC[C@H](OC)C(=O)N1CCOCC1.
What is the InChIKey of (2S)-2-methoxy-1-morpholin-4-ylpent-4-en-1-one?
The InChIKey is IBLRLODMZFJURY-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-4-9(13-2)10(12)11-5-7-14-8-6-11/h3,9H,1,4-8H2,2H3/t9-/m0/s1.
What are the key properties of (2S)-2-methoxy-1-morpholin-4-ylpent-4-en-1-one?
(2S)-2-methoxy-1-morpholin-4-ylpent-4-en-1-one has a molecular weight of 199.25 g/mol, XLogP of 0.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-1-morpholin-4-ylpent-4-en-1-one is sourced from PubChem (CID 101105012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).