(Z)-1-[(2R)-2-ethylmorpholin-4-yl]-2-methylpent-2-en-1-one

C12H21NO2 — CID 95154056

IUPAC(Z)-1-[(2R)-2-ethylmorpholin-4-yl]-2-methylpent-2-en-1-one
SMILESCC/C=C(/C)C(=O)N1CCO[C@H](CC)C1
InChIInChI=1S/C12H21NO2/c1-4-6-10(3)12(14)13-7-8-15-11(5-2)9-13/h6,11H,4-5,7-9H2,1-3H3/b10-6-/t11-/m1/s1
InChIKeyVPYJVDCDPXPNNL-SDKXAQGSSA-N
MW211.31 g/mol
LogP1.98
Rot. Bonds3

About (Z)-1-[(2R)-2-ethylmorpholin-4-yl]-2-methylpent-2-en-1-one

(Z)-1-[(2R)-2-ethylmorpholin-4-yl]-2-methylpent-2-en-1-one (PubChem CID 95154056) has the molecular formula C12H21NO2 and a molecular weight of 211.31 g/mol. Its IUPAC name is (Z)-1-[(2R)-2-ethylmorpholin-4-yl]-2-methylpent-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-[(2R)-2-ethylmorpholin-4-yl]-2-methylpent-2-en-1-one
PubChem CID95154056
Molecular FormulaC12H21NO2
Molecular Weight211.31 g/mol
Exact Mass211.16
IUPAC Name(Z)-1-[(2R)-2-ethylmorpholin-4-yl]-2-methylpent-2-en-1-one
SMILESCC/C=C(/C)C(=O)N1CCO[C@H](CC)C1
InChIInChI=1S/C12H21NO2/c1-4-6-10(3)12(14)13-7-8-15-11(5-2)9-13/h6,11H,4-5,7-9H2,1-3H3/b10-6-/t11-/m1/s1
InChIKeyVPYJVDCDPXPNNL-SDKXAQGSSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-1-[(2R)-2-ethylmorpholin-4-yl]-2-methylpent-2-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

2-ethylmorpholine-4-carboxylic acid
CID 121455686
1-[(2R)-2-ethylmorpholin-4-yl]-2,2-dimethylpropan-1-one
CID 166684101
1-[2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]morpholin-4-yl]-2-methylpent-2-en-1-one
CID 4685886
(Z)-1-(3-hydroxyazetidin-1-yl)-2-methylpent-2-en-1-one
CID 63106217
1-(4-acetylpiperazin-1-yl)-2-methylpent-2-en-1-one
CID 71897559
(1-aminocyclopropyl)-(2-ethylmorpholin-4-yl)methanone
CID 65466783
6-(2-ethylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 43562560
(Z)-1-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-methylpent-2-en-1-one
CID 112630556
1-(2-propylmorpholin-4-yl)ethanone
CID 89170982
N-(2-aminoethyl)-2-ethylmorpholine-4-carboxamide
CID 82506232
(2R)-1-[(2S)-2-ethylmorpholin-4-yl]-2-methylsulfonylpropan-1-one
CID 95153981
1-(2-ethylmorpholin-4-yl)-2-piperazin-1-ylethanone
CID 43563037

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[(2R)-2-ethylmorpholin-4-yl]-2-methylpent-2-en-1-one?
The IUPAC name of (Z)-1-[(2R)-2-ethylmorpholin-4-yl]-2-methylpent-2-en-1-one (CID 95154056) is (Z)-1-[(2R)-2-ethylmorpholin-4-yl]-2-methylpent-2-en-1-one.
What is the SMILES notation for (Z)-1-[(2R)-2-ethylmorpholin-4-yl]-2-methylpent-2-en-1-one?
The canonical SMILES for (Z)-1-[(2R)-2-ethylmorpholin-4-yl]-2-methylpent-2-en-1-one is CC/C=C(/C)C(=O)N1CCO[C@H](CC)C1.
What is the InChIKey of (Z)-1-[(2R)-2-ethylmorpholin-4-yl]-2-methylpent-2-en-1-one?
The InChIKey is VPYJVDCDPXPNNL-SDKXAQGSSA-N. The full InChI is InChI=1S/C12H21NO2/c1-4-6-10(3)12(14)13-7-8-15-11(5-2)9-13/h6,11H,4-5,7-9H2,1-3H3/b10-6-/t11-/m1/s1.
What are the key properties of (Z)-1-[(2R)-2-ethylmorpholin-4-yl]-2-methylpent-2-en-1-one?
(Z)-1-[(2R)-2-ethylmorpholin-4-yl]-2-methylpent-2-en-1-one has a molecular weight of 211.31 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[(2R)-2-ethylmorpholin-4-yl]-2-methylpent-2-en-1-one is sourced from PubChem (CID 95154056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).