2-methyl-1-morpholin-4-ylhept-4-en-1-one

C12H21NO2 — CID 123519194

IUPAC2-methyl-1-morpholin-4-ylhept-4-en-1-one
SMILESCCC=CCC(C)C(=O)N1CCOCC1
InChIInChI=1S/C12H21NO2/c1-3-4-5-6-11(2)12(14)13-7-9-15-10-8-13/h4-5,11H,3,6-10H2,1-2H3
InChIKeyQOXRJUAAKKYMQI-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.84
Rot. Bonds4

About 2-methyl-1-morpholin-4-ylhept-4-en-1-one

2-methyl-1-morpholin-4-ylhept-4-en-1-one (PubChem CID 123519194) has the molecular formula C12H21NO2 and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-methyl-1-morpholin-4-ylhept-4-en-1-one.

Molecular Properties

Compound Name2-methyl-1-morpholin-4-ylhept-4-en-1-one
PubChem CID123519194
Molecular FormulaC12H21NO2
Molecular Weight211.31 g/mol
Exact Mass211.16
IUPAC Name2-methyl-1-morpholin-4-ylhept-4-en-1-one
SMILESCCC=CCC(C)C(=O)N1CCOCC1
InChIInChI=1S/C12H21NO2/c1-3-4-5-6-11(2)12(14)13-7-9-15-10-8-13/h4-5,11H,3,6-10H2,1-2H3
InChIKeyQOXRJUAAKKYMQI-UHFFFAOYSA-N
XLogP1.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Arachidonoylmorpholine
CID 5283433
(4Z,7Z,10Z,13Z,16Z,19Z)-1-morpholin-4-yldocosa-4,7,10,13,16,19-hexaen-1-one
CID 90071172
(4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-methoxyethyl)-N-methyldocosa-4,7,10,13,16,19-hexaenamide
CID 155538848
Cyclohex-3-en-1-yl(morpholino)methanone
CID 12760863
1-Morpholin-4-ylpent-4-en-1-one
CID 19855871
(E)-2,2-difluoro-1-morpholinodec-4-en-1-one
CID 168720239
(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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-morpholin-4-ylhept-4-en-1-one?
The IUPAC name of 2-methyl-1-morpholin-4-ylhept-4-en-1-one (CID 123519194) is 2-methyl-1-morpholin-4-ylhept-4-en-1-one.
What is the SMILES notation for 2-methyl-1-morpholin-4-ylhept-4-en-1-one?
The canonical SMILES for 2-methyl-1-morpholin-4-ylhept-4-en-1-one is CCC=CCC(C)C(=O)N1CCOCC1.
What is the InChIKey of 2-methyl-1-morpholin-4-ylhept-4-en-1-one?
The InChIKey is QOXRJUAAKKYMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-3-4-5-6-11(2)12(14)13-7-9-15-10-8-13/h4-5,11H,3,6-10H2,1-2H3.
What are the key properties of 2-methyl-1-morpholin-4-ylhept-4-en-1-one?
2-methyl-1-morpholin-4-ylhept-4-en-1-one has a molecular weight of 211.31 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-morpholin-4-ylhept-4-en-1-one is sourced from PubChem (CID 123519194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).