(Z)-2,3-dichloro-4-morpholin-4-yl-4-oxobut-2-enoic acid

C8H9Cl2NO4 — CID 14143339

IUPAC(Z)-2,3-dichloro-4-morpholin-4-yl-4-oxobut-2-enoic acid
SMILESO=C(O)/C(Cl)=C(/Cl)C(=O)N1CCOCC1
InChIInChI=1S/C8H9Cl2NO4/c9-5(6(10)8(13)14)7(12)11-1-3-15-4-2-11/h1-4H2,(H,13,14)/b6-5-
InChIKeyPOVYJMZAJGRPAN-WAYWQWQTSA-N
MW254.07 g/mol
LogP0.62
Rot. Bonds2

About (Z)-2,3-dichloro-4-morpholin-4-yl-4-oxobut-2-enoic acid

(Z)-2,3-dichloro-4-morpholin-4-yl-4-oxobut-2-enoic acid (PubChem CID 14143339) has the molecular formula C8H9Cl2NO4 and a molecular weight of 254.07 g/mol. Its IUPAC name is (Z)-2,3-dichloro-4-morpholin-4-yl-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(Z)-2,3-dichloro-4-morpholin-4-yl-4-oxobut-2-enoic acid
PubChem CID14143339
Molecular FormulaC8H9Cl2NO4
Molecular Weight254.07 g/mol
Exact Mass252.99
IUPAC Name(Z)-2,3-dichloro-4-morpholin-4-yl-4-oxobut-2-enoic acid
SMILESO=C(O)/C(Cl)=C(/Cl)C(=O)N1CCOCC1
InChIInChI=1S/C8H9Cl2NO4/c9-5(6(10)8(13)14)7(12)11-1-3-15-4-2-11/h1-4H2,(H,13,14)/b6-5-
InChIKeyPOVYJMZAJGRPAN-WAYWQWQTSA-N
XLogP0.62
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.07
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-2-morpholin-4-yl-2-oxoethanimidoyl chloride
CID 75088881
2-chloroacetyl chloride;dimorpholin-4-ylmethanone
CID 174889845
2-morpholin-4-ylbut-2-enoic acid;hydrochloride
CID 174202457
2,3-dimethyl-4-(1,4-oxazepan-4-yl)-4-oxobut-2-enoic acid
CID 76992411
(E)-2-ethenyl-1-morpholin-4-ylbut-2-en-1-one
CID 10797480
1-morpholin-4-yl-2-piperazin-1-ylethane-1,2-dione
CID 7131953
N-methyl-2-morpholin-4-yl-2-oxoacetamide
CID 22032272
3,3-dimethyl-1-morpholin-4-ylbutane-1,2-dione
CID 58498578
(E)-2-methyl-3-morpholin-4-ylbut-2-enoic acid
CID 66776820
morpholine-4-carbonyl chloride;morpholine-4-carboxamide
CID 160802379
1-(1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracos-22-yl)ethanone
CID 20707611
CID 136747595
CID 136747595

Frequently Asked Questions

What is the IUPAC name of (Z)-2,3-dichloro-4-morpholin-4-yl-4-oxobut-2-enoic acid?
The IUPAC name of (Z)-2,3-dichloro-4-morpholin-4-yl-4-oxobut-2-enoic acid (CID 14143339) is (Z)-2,3-dichloro-4-morpholin-4-yl-4-oxobut-2-enoic acid.
What is the SMILES notation for (Z)-2,3-dichloro-4-morpholin-4-yl-4-oxobut-2-enoic acid?
The canonical SMILES for (Z)-2,3-dichloro-4-morpholin-4-yl-4-oxobut-2-enoic acid is O=C(O)/C(Cl)=C(/Cl)C(=O)N1CCOCC1.
What is the InChIKey of (Z)-2,3-dichloro-4-morpholin-4-yl-4-oxobut-2-enoic acid?
The InChIKey is POVYJMZAJGRPAN-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H9Cl2NO4/c9-5(6(10)8(13)14)7(12)11-1-3-15-4-2-11/h1-4H2,(H,13,14)/b6-5-.
What are the key properties of (Z)-2,3-dichloro-4-morpholin-4-yl-4-oxobut-2-enoic acid?
(Z)-2,3-dichloro-4-morpholin-4-yl-4-oxobut-2-enoic acid has a molecular weight of 254.07 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3-dichloro-4-morpholin-4-yl-4-oxobut-2-enoic acid is sourced from PubChem (CID 14143339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).