(2Z)-2-methyl-1-morpholin-4-ylpenta-2,4-dien-1-one

C10H15NO2 — CID 24899376

IUPAC(2Z)-2-methyl-1-morpholin-4-ylpenta-2,4-dien-1-one
SMILESC=C/C=C(/C)C(=O)N1CCOCC1
InChIInChI=1S/C10H15NO2/c1-3-4-9(2)10(12)11-5-7-13-8-6-11/h3-4H,1,5-8H2,2H3/b9-4-
InChIKeyGXXRZJAMUPIQOV-WTKPLQERSA-N
MW181.24 g/mol
LogP0.98
Rot. Bonds2

About (2Z)-2-methyl-1-morpholin-4-ylpenta-2,4-dien-1-one

(2Z)-2-methyl-1-morpholin-4-ylpenta-2,4-dien-1-one (PubChem CID 24899376) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is (2Z)-2-methyl-1-morpholin-4-ylpenta-2,4-dien-1-one.

Molecular Properties

Compound Name(2Z)-2-methyl-1-morpholin-4-ylpenta-2,4-dien-1-one
PubChem CID24899376
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name(2Z)-2-methyl-1-morpholin-4-ylpenta-2,4-dien-1-one
SMILESC=C/C=C(/C)C(=O)N1CCOCC1
InChIInChI=1S/C10H15NO2/c1-3-4-9(2)10(12)11-5-7-13-8-6-11/h3-4H,1,5-8H2,2H3/b9-4-
InChIKeyGXXRZJAMUPIQOV-WTKPLQERSA-N
XLogP0.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-ethenyl-1-morpholin-4-ylbut-2-en-1-one
CID 10797480
(2Z,4E)-2-methyl-3-(methylamino)-1-morpholin-4-yl-4-nitrohepta-2,4,6-trien-1-one
CID 175634027
1-(1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracos-22-yl)ethanone
CID 20707611
1-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)ethanone
CID 10335257
1-(1,4,7-trioxa-10-azacyclododec-10-yl)ethanone
CID 949153
(2E,3Z)-2-ethylidene-5-methyl-1-morpholin-4-ylhexa-3,5-dien-1-one
CID 166764494
2-imino-1-morpholin-4-ylpropan-1-one
CID 171555876
3,3-dimethyl-1-morpholin-4-ylbutane-1,2-dione
CID 58498578
N-methyl-2-morpholin-4-yl-2-oxoacetamide
CID 22032272
4-morpholin-4-ylpent-3-en-2-one
CID 592427
ethane;2-imino-1-morpholin-4-ylpropan-1-one
CID 171555875
4-[(3E,5Z)-7-bromohepta-1,3,5-trien-4-yl]morpholine
CID 138711415

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-methyl-1-morpholin-4-ylpenta-2,4-dien-1-one?
The IUPAC name of (2Z)-2-methyl-1-morpholin-4-ylpenta-2,4-dien-1-one (CID 24899376) is (2Z)-2-methyl-1-morpholin-4-ylpenta-2,4-dien-1-one.
What is the SMILES notation for (2Z)-2-methyl-1-morpholin-4-ylpenta-2,4-dien-1-one?
The canonical SMILES for (2Z)-2-methyl-1-morpholin-4-ylpenta-2,4-dien-1-one is C=C/C=C(/C)C(=O)N1CCOCC1.
What is the InChIKey of (2Z)-2-methyl-1-morpholin-4-ylpenta-2,4-dien-1-one?
The InChIKey is GXXRZJAMUPIQOV-WTKPLQERSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-4-9(2)10(12)11-5-7-13-8-6-11/h3-4H,1,5-8H2,2H3/b9-4-.
What are the key properties of (2Z)-2-methyl-1-morpholin-4-ylpenta-2,4-dien-1-one?
(2Z)-2-methyl-1-morpholin-4-ylpenta-2,4-dien-1-one has a molecular weight of 181.24 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-methyl-1-morpholin-4-ylpenta-2,4-dien-1-one is sourced from PubChem (CID 24899376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).