(1Z)-N-(3-methoxyphenyl)-2-oxopropanehydrazonoyl chloride

C10H11ClN2O2 — CID 22909163

IUPAC(1Z)-N-(3-methoxyphenyl)-2-oxopropanehydrazonoyl chloride
SMILESCOc1cccc(N/N=C(\Cl)C(C)=O)c1
InChIInChI=1S/C10H11ClN2O2/c1-7(14)10(11)13-12-8-4-3-5-9(6-8)15-2/h3-6,12H,1-2H3/b13-10-
InChIKeyVESSFDBVPPKNOR-RAXLEYEMSA-N
MW226.66 g/mol
LogP2.25
Rot. Bonds4

About (1Z)-N-(3-methoxyphenyl)-2-oxopropanehydrazonoyl chloride

(1Z)-N-(3-methoxyphenyl)-2-oxopropanehydrazonoyl chloride (PubChem CID 22909163) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is (1Z)-N-(3-methoxyphenyl)-2-oxopropanehydrazonoyl chloride.

Molecular Properties

Compound Name(1Z)-N-(3-methoxyphenyl)-2-oxopropanehydrazonoyl chloride
PubChem CID22909163
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name(1Z)-N-(3-methoxyphenyl)-2-oxopropanehydrazonoyl chloride
SMILESCOc1cccc(N/N=C(\Cl)C(C)=O)c1
InChIInChI=1S/C10H11ClN2O2/c1-7(14)10(11)13-12-8-4-3-5-9(6-8)15-2/h3-6,12H,1-2H3/b13-10-
InChIKeyVESSFDBVPPKNOR-RAXLEYEMSA-N
XLogP2.25
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methane;N-(3-methoxyphenyl)acetamide
CID 161026095
2-[(3-methoxyphenyl)hydrazinylidene]-N,N'-bis-(4-methylphenyl)sulfonylpropanediamide
CID 4873322
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465
3-chloro-N-(3-methoxyphenyl)propanamide
CID 2785756
1-(2-chlorophenyl)ethanone;N-[(E)-1-(2-chlorophenyl)ethylideneamino]-3-methoxyaniline;ethanol;methane;(3-methoxyphenyl)hydrazine
CID 172985156
2,2-dichloro-N-(3-methoxyphenyl)acetamide
CID 5097021
N'-(3-bromophenyl)-N-(3-methoxyphenyl)oxamide
CID 108519610
(2S)-2-chloro-N-(3-methoxyphenyl)propanamide
CID 6591303
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
2-chloro-N-[(3-methoxyphenyl)carbamoyl]propanamide
CID 43146331
3-chloro-N-[(3-methoxyphenyl)carbamoyl]propanamide
CID 43146330
4-acetyl-N-(3-methoxyphenyl)benzamide
CID 16640996

Frequently Asked Questions

What is the IUPAC name of (1Z)-N-(3-methoxyphenyl)-2-oxopropanehydrazonoyl chloride?
The IUPAC name of (1Z)-N-(3-methoxyphenyl)-2-oxopropanehydrazonoyl chloride (CID 22909163) is (1Z)-N-(3-methoxyphenyl)-2-oxopropanehydrazonoyl chloride.
What is the SMILES notation for (1Z)-N-(3-methoxyphenyl)-2-oxopropanehydrazonoyl chloride?
The canonical SMILES for (1Z)-N-(3-methoxyphenyl)-2-oxopropanehydrazonoyl chloride is COc1cccc(N/N=C(\Cl)C(C)=O)c1.
What is the InChIKey of (1Z)-N-(3-methoxyphenyl)-2-oxopropanehydrazonoyl chloride?
The InChIKey is VESSFDBVPPKNOR-RAXLEYEMSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c1-7(14)10(11)13-12-8-4-3-5-9(6-8)15-2/h3-6,12H,1-2H3/b13-10-.
What are the key properties of (1Z)-N-(3-methoxyphenyl)-2-oxopropanehydrazonoyl chloride?
(1Z)-N-(3-methoxyphenyl)-2-oxopropanehydrazonoyl chloride has a molecular weight of 226.66 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-(3-methoxyphenyl)-2-oxopropanehydrazonoyl chloride is sourced from PubChem (CID 22909163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).