(E)-1-(2,6-dimethylmorpholin-4-yl)-4,4-dimethylpent-2-en-1-one

C13H23NO2 — CID 21060133

IUPAC(E)-1-(2,6-dimethylmorpholin-4-yl)-4,4-dimethylpent-2-en-1-one
SMILESCC1CN(C(=O)/C=C/C(C)(C)C)CC(C)O1
InChIInChI=1S/C13H23NO2/c1-10-8-14(9-11(2)16-10)12(15)6-7-13(3,4)5/h6-7,10-11H,8-9H2,1-5H3/b7-6+
InChIKeyCDFWDDYCFKUFAC-VOTSOKGWSA-N
MW225.33 g/mol
LogP2.22
Rot. Bonds1

About (E)-1-(2,6-dimethylmorpholin-4-yl)-4,4-dimethylpent-2-en-1-one

(E)-1-(2,6-dimethylmorpholin-4-yl)-4,4-dimethylpent-2-en-1-one (PubChem CID 21060133) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (E)-1-(2,6-dimethylmorpholin-4-yl)-4,4-dimethylpent-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2,6-dimethylmorpholin-4-yl)-4,4-dimethylpent-2-en-1-one
PubChem CID21060133
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(E)-1-(2,6-dimethylmorpholin-4-yl)-4,4-dimethylpent-2-en-1-one
SMILESCC1CN(C(=O)/C=C/C(C)(C)C)CC(C)O1
InChIInChI=1S/C13H23NO2/c1-10-8-14(9-11(2)16-10)12(15)6-7-13(3,4)5/h6-7,10-11H,8-9H2,1-5H3/b7-6+
InChIKeyCDFWDDYCFKUFAC-VOTSOKGWSA-N
XLogP2.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-Dimethylmorpholin-4-yl)-2-methylpent-2-en-1-one
CID 71897557
(E)-4-methyl-1-morpholin-4-ylpent-2-en-1-one
CID 12185745
(E)-2-methyl-1-morpholin-4-ylpent-2-en-1-one
CID 14773869
(E)-2,4,4-trimethyl-1-morpholin-4-ylpent-2-en-1-one
CID 102594206
(E)-1-morpholin-4-ylhex-2-en-1-one
CID 135042779
(2E,4E)-1-morpholin-4-ylocta-2,4-dien-1-one
CID 166440192
1-Morpholin-4-yloct-2-en-1-one
CID 252433
(E)-1-[2-(methoxymethyl)morpholin-4-yl]-4,4-dimethylpent-2-en-1-one
CID 21060141
(E)-1-(3-methoxypiperidin-1-yl)-4,4-dimethylpent-2-en-1-one
CID 21060152
(E)-4,4-dimethyl-1-morpholin-4-ylpent-2-en-1-one
CID 21060374
(E)-4,4-dimethyl-N-(3-morpholin-4-ylpropyl)pent-2-enamide
CID 21060382
(E)-N,N-bis(2-methoxyethyl)-4,4-dimethylpent-2-enamide
CID 21060468

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,6-dimethylmorpholin-4-yl)-4,4-dimethylpent-2-en-1-one?
The IUPAC name of (E)-1-(2,6-dimethylmorpholin-4-yl)-4,4-dimethylpent-2-en-1-one (CID 21060133) is (E)-1-(2,6-dimethylmorpholin-4-yl)-4,4-dimethylpent-2-en-1-one.
What is the SMILES notation for (E)-1-(2,6-dimethylmorpholin-4-yl)-4,4-dimethylpent-2-en-1-one?
The canonical SMILES for (E)-1-(2,6-dimethylmorpholin-4-yl)-4,4-dimethylpent-2-en-1-one is CC1CN(C(=O)/C=C/C(C)(C)C)CC(C)O1.
What is the InChIKey of (E)-1-(2,6-dimethylmorpholin-4-yl)-4,4-dimethylpent-2-en-1-one?
The InChIKey is CDFWDDYCFKUFAC-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10-8-14(9-11(2)16-10)12(15)6-7-13(3,4)5/h6-7,10-11H,8-9H2,1-5H3/b7-6+.
What are the key properties of (E)-1-(2,6-dimethylmorpholin-4-yl)-4,4-dimethylpent-2-en-1-one?
(E)-1-(2,6-dimethylmorpholin-4-yl)-4,4-dimethylpent-2-en-1-one has a molecular weight of 225.33 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,6-dimethylmorpholin-4-yl)-4,4-dimethylpent-2-en-1-one is sourced from PubChem (CID 21060133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).