(2S)-2,3-dimethyl-1-morpholin-4-ylhex-4-en-1-one

C12H21NO2 — CID 91015468

IUPAC(2S)-2,3-dimethyl-1-morpholin-4-ylhex-4-en-1-one
SMILESCC=CC(C)[C@H](C)C(=O)N1CCOCC1
InChIInChI=1S/C12H21NO2/c1-4-5-10(2)11(3)12(14)13-6-8-15-9-7-13/h4-5,10-11H,6-9H2,1-3H3/t10?,11-/m0/s1
InChIKeyUYYVQBXLHPKXAX-DTIOYNMSSA-N
MW211.31 g/mol
LogP1.69
Rot. Bonds3

About (2S)-2,3-dimethyl-1-morpholin-4-ylhex-4-en-1-one

(2S)-2,3-dimethyl-1-morpholin-4-ylhex-4-en-1-one (PubChem CID 91015468) has the molecular formula C12H21NO2 and a molecular weight of 211.31 g/mol. Its IUPAC name is (2S)-2,3-dimethyl-1-morpholin-4-ylhex-4-en-1-one.

Molecular Properties

Compound Name(2S)-2,3-dimethyl-1-morpholin-4-ylhex-4-en-1-one
PubChem CID91015468
Molecular FormulaC12H21NO2
Molecular Weight211.31 g/mol
Exact Mass211.16
IUPAC Name(2S)-2,3-dimethyl-1-morpholin-4-ylhex-4-en-1-one
SMILESCC=CC(C)[C@H](C)C(=O)N1CCOCC1
InChIInChI=1S/C12H21NO2/c1-4-5-10(2)11(3)12(14)13-6-8-15-9-7-13/h4-5,10-11H,6-9H2,1-3H3/t10?,11-/m0/s1
InChIKeyUYYVQBXLHPKXAX-DTIOYNMSSA-N
XLogP1.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-2,3-dimethyl-1-morpholin-4-ylhex-4-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4Z,7Z,10Z,13Z,16Z,19Z)-1-morpholin-4-yldocosa-4,7,10,13,16,19-hexaen-1-one
CID 90071172
Cyclohex-3-en-1-yl(morpholino)methanone
CID 12760863
1-Morpholin-4-ylpent-4-en-1-one
CID 19855871
(2R,3R)-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one
CID 10987213
2-Methyl-1-morpholin-4-ylpent-4-en-1-one
CID 22628680
(2R,3S)-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one
CID 44632318
Cyclopent-3-en-1-yl-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 121523538
(2S,3R)-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one
CID 100990980
(E)-1-morpholin-4-ylhept-4-ene-1,6-dione
CID 125476306
(5Z,8Z,11Z,14Z,17Z)-1-morpholin-4-ylicosa-5,8,11,14,17-pentaen-1-one
CID 138969257
(E)-1-morpholin-4-yloct-4-en-1-one
CID 166437933
Cyclopent-3-en-1-yl-[2-(fluoromethyl)morpholin-4-yl]methanone
CID 126794038

Frequently Asked Questions

What is the IUPAC name of (2S)-2,3-dimethyl-1-morpholin-4-ylhex-4-en-1-one?
The IUPAC name of (2S)-2,3-dimethyl-1-morpholin-4-ylhex-4-en-1-one (CID 91015468) is (2S)-2,3-dimethyl-1-morpholin-4-ylhex-4-en-1-one.
What is the SMILES notation for (2S)-2,3-dimethyl-1-morpholin-4-ylhex-4-en-1-one?
The canonical SMILES for (2S)-2,3-dimethyl-1-morpholin-4-ylhex-4-en-1-one is CC=CC(C)[C@H](C)C(=O)N1CCOCC1.
What is the InChIKey of (2S)-2,3-dimethyl-1-morpholin-4-ylhex-4-en-1-one?
The InChIKey is UYYVQBXLHPKXAX-DTIOYNMSSA-N. The full InChI is InChI=1S/C12H21NO2/c1-4-5-10(2)11(3)12(14)13-6-8-15-9-7-13/h4-5,10-11H,6-9H2,1-3H3/t10?,11-/m0/s1.
What are the key properties of (2S)-2,3-dimethyl-1-morpholin-4-ylhex-4-en-1-one?
(2S)-2,3-dimethyl-1-morpholin-4-ylhex-4-en-1-one has a molecular weight of 211.31 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3-dimethyl-1-morpholin-4-ylhex-4-en-1-one is sourced from PubChem (CID 91015468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).