(E)-2-[(3-chlorophenyl)diazenyl]-3-hydroxy-N-methylbut-2-enamide

C11H12ClN3O2 — CID 135624061

IUPAC(E)-2-[(3-chlorophenyl)diazenyl]-3-hydroxy-N-methylbut-2-enamide
SMILESCNC(=O)C(/N=N/c1cccc(Cl)c1)=C(/C)O
InChIInChI=1S/C11H12ClN3O2/c1-7(16)10(11(17)13-2)15-14-9-5-3-4-8(12)6-9/h3-6,16H,1-2H3,(H,13,17)/b10-7+,15-14+
InChIKeyHVOHPPKOOIOZJB-YFLNMOBYSA-N
MW253.69 g/mol
LogP2.96
Rot. Bonds3

About (E)-2-[(3-chlorophenyl)diazenyl]-3-hydroxy-N-methylbut-2-enamide

(E)-2-[(3-chlorophenyl)diazenyl]-3-hydroxy-N-methylbut-2-enamide (PubChem CID 135624061) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is (E)-2-[(3-chlorophenyl)diazenyl]-3-hydroxy-N-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-2-[(3-chlorophenyl)diazenyl]-3-hydroxy-N-methylbut-2-enamide
PubChem CID135624061
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name(E)-2-[(3-chlorophenyl)diazenyl]-3-hydroxy-N-methylbut-2-enamide
SMILESCNC(=O)C(/N=N/c1cccc(Cl)c1)=C(/C)O
InChIInChI=1S/C11H12ClN3O2/c1-7(16)10(11(17)13-2)15-14-9-5-3-4-8(12)6-9/h3-6,16H,1-2H3,(H,13,17)/b10-7+,15-14+
InChIKeyHVOHPPKOOIOZJB-YFLNMOBYSA-N
XLogP2.96
TPSA74.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-[(3-chlorophenyl)diazenyl]-4-hydroxypent-3-en-2-one
CID 135868221
(E)-2-[(4-chlorophenyl)diazenyl]-3-hydroxy-N-methylbut-2-enamide
CID 137179746
(Z)-2-[(3,4-dichlorophenyl)diazenyl]-3-hydroxy-N-methylbut-2-enamide
CID 135599740
(Z)-4-hydroxy-3-[[3-[[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]diazenyl]phenyl]diazenyl]pent-3-en-2-one
CID 177384143
(Z)-3-[(3-fluorophenyl)diazenyl]-4-hydroxypent-3-en-2-one
CID 135672253
(E)-2-[(3,4-dichlorophenyl)diazenyl]-3-hydroxy-N,4,4-trimethylpent-2-enamide
CID 137304129
N-hydroxy-3-[(2-hydroxy-4-oxopent-2-en-3-yl)diazenyl]benzeneamine oxide
CID 163128119
1-(3-chlorophenyl)-3-phenyliminourea
CID 10801288
acetic acid;1,3-dichlorobenzene;hydrate
CID 118105432
3-(3-chloroanilino)-N-methyl-2-oxobut-3-enamide
CID 166687512
2-[(3-chlorophenyl)diazenyl]-1,3-diphenylpropane-1,3-dione
CID 12781436
3-[[(Z)-1-anilino-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-5-chloro-2-hydroxybenzenesulfonic acid
CID 177442987

Frequently Asked Questions

What is the IUPAC name of (E)-2-[(3-chlorophenyl)diazenyl]-3-hydroxy-N-methylbut-2-enamide?
The IUPAC name of (E)-2-[(3-chlorophenyl)diazenyl]-3-hydroxy-N-methylbut-2-enamide (CID 135624061) is (E)-2-[(3-chlorophenyl)diazenyl]-3-hydroxy-N-methylbut-2-enamide.
What is the SMILES notation for (E)-2-[(3-chlorophenyl)diazenyl]-3-hydroxy-N-methylbut-2-enamide?
The canonical SMILES for (E)-2-[(3-chlorophenyl)diazenyl]-3-hydroxy-N-methylbut-2-enamide is CNC(=O)C(/N=N/c1cccc(Cl)c1)=C(/C)O.
What is the InChIKey of (E)-2-[(3-chlorophenyl)diazenyl]-3-hydroxy-N-methylbut-2-enamide?
The InChIKey is HVOHPPKOOIOZJB-YFLNMOBYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c1-7(16)10(11(17)13-2)15-14-9-5-3-4-8(12)6-9/h3-6,16H,1-2H3,(H,13,17)/b10-7+,15-14+.
What are the key properties of (E)-2-[(3-chlorophenyl)diazenyl]-3-hydroxy-N-methylbut-2-enamide?
(E)-2-[(3-chlorophenyl)diazenyl]-3-hydroxy-N-methylbut-2-enamide has a molecular weight of 253.69 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(3-chlorophenyl)diazenyl]-3-hydroxy-N-methylbut-2-enamide is sourced from PubChem (CID 135624061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).