1-morpholin-4-yl-2-propan-2-ylbuta-2,3-dien-1-one

C11H17NO2 — CID 123435891

IUPAC1-morpholin-4-yl-2-propan-2-ylbuta-2,3-dien-1-one
SMILESC=C=C(C(=O)N1CCOCC1)C(C)C
InChIInChI=1S/C11H17NO2/c1-4-10(9(2)3)11(13)12-5-7-14-8-6-12/h9H,1,5-8H2,2-3H3
InChIKeyZIPFPPIKPVZZLW-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.21
Rot. Bonds2

About 1-morpholin-4-yl-2-propan-2-ylbuta-2,3-dien-1-one

1-morpholin-4-yl-2-propan-2-ylbuta-2,3-dien-1-one (PubChem CID 123435891) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-propan-2-ylbuta-2,3-dien-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-2-propan-2-ylbuta-2,3-dien-1-one
PubChem CID123435891
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-morpholin-4-yl-2-propan-2-ylbuta-2,3-dien-1-one
SMILESC=C=C(C(=O)N1CCOCC1)C(C)C
InChIInChI=1S/C11H17NO2/c1-4-10(9(2)3)11(13)12-5-7-14-8-6-12/h9H,1,5-8H2,2-3H3
InChIKeyZIPFPPIKPVZZLW-UHFFFAOYSA-N
XLogP1.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.21
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

N-(2-morpholin-4-yl-2-oxoethyl)-2-propan-2-ylbuta-2,3-dienamide
CID 123508124
N-methyl-2-morpholin-4-yl-2-oxoacetamide
CID 22032272
4-(2,4-dimethylpent-2-en-3-yl)morpholine
CID 5100912
(E)-2-ethenyl-1-morpholin-4-ylbut-2-en-1-one
CID 10797480
(2S)-2-chloro-1-morpholin-4-ylpropan-1-one
CID 2434799
3,3-dimethyl-1-morpholin-4-ylbutane-1,2-dione
CID 58498578
formaldehyde;3-methyl-1-morpholin-4-ylbutan-1-one
CID 143869951
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
N-[1-(oxan-4-yl)ethyl]morpholine-4-carboxamide
CID 103768181
(2Z)-2-methyl-1-morpholin-4-ylpenta-2,4-dien-1-one
CID 24899376

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-propan-2-ylbuta-2,3-dien-1-one?
The IUPAC name of 1-morpholin-4-yl-2-propan-2-ylbuta-2,3-dien-1-one (CID 123435891) is 1-morpholin-4-yl-2-propan-2-ylbuta-2,3-dien-1-one.
What is the SMILES notation for 1-morpholin-4-yl-2-propan-2-ylbuta-2,3-dien-1-one?
The canonical SMILES for 1-morpholin-4-yl-2-propan-2-ylbuta-2,3-dien-1-one is C=C=C(C(=O)N1CCOCC1)C(C)C.
What is the InChIKey of 1-morpholin-4-yl-2-propan-2-ylbuta-2,3-dien-1-one?
The InChIKey is ZIPFPPIKPVZZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-4-10(9(2)3)11(13)12-5-7-14-8-6-12/h9H,1,5-8H2,2-3H3.
What are the key properties of 1-morpholin-4-yl-2-propan-2-ylbuta-2,3-dien-1-one?
1-morpholin-4-yl-2-propan-2-ylbuta-2,3-dien-1-one has a molecular weight of 195.26 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-propan-2-ylbuta-2,3-dien-1-one is sourced from PubChem (CID 123435891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).