3-(2-chloro-3,4-dimethoxyphenyl)prop-2-enehydrazide

C11H13ClN2O3 — CID 2774974

IUPAC3-(2-chloro-3,4-dimethoxyphenyl)prop-2-enehydrazide
SMILESCOc1ccc(C=CC(=O)NN)c(Cl)c1OC
InChIInChI=1S/C11H13ClN2O3/c1-16-8-5-3-7(4-6-9(15)14-13)10(12)11(8)17-2/h3-6H,13H2,1-2H3,(H,14,15)
InChIKeyXDUQFMKRVAWHJI-UHFFFAOYSA-N
MW256.69 g/mol
LogP1.36
Rot. Bonds4

About 3-(2-chloro-3,4-dimethoxyphenyl)prop-2-enehydrazide

3-(2-chloro-3,4-dimethoxyphenyl)prop-2-enehydrazide (PubChem CID 2774974) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is 3-(2-chloro-3,4-dimethoxyphenyl)prop-2-enehydrazide.

Molecular Properties

Compound Name3-(2-chloro-3,4-dimethoxyphenyl)prop-2-enehydrazide
PubChem CID2774974
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Name3-(2-chloro-3,4-dimethoxyphenyl)prop-2-enehydrazide
SMILESCOc1ccc(C=CC(=O)NN)c(Cl)c1OC
InChIInChI=1S/C11H13ClN2O3/c1-16-8-5-3-7(4-6-9(15)14-13)10(12)11(8)17-2/h3-6H,13H2,1-2H3,(H,14,15)
InChIKeyXDUQFMKRVAWHJI-UHFFFAOYSA-N
XLogP1.36
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(2-chloro-3,4-dimethoxyphenyl)prop-2-en-1-ol
CID 163198757
(E)-3-(3,4-dimethoxyphenyl)prop-2-enehydrazide
CID 6366846
N-ethyl-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 3905301
2-chloro-1-(3-chloroprop-1-enyl)-3,4-dimethoxybenzene
CID 79335637
3-(2-bromo-4,5-dimethoxyphenyl)prop-2-enehydrazide
CID 131848176
3-chloro-1,2-dimethoxy-4-(2-nitroethenyl)benzene
CID 54212872
(E)-N-(2,4-dimethylpentan-3-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 6068482
3-(2-chloro-3,4-dimethoxyphenyl)-1-(4-cyclopentylpiperazin-1-yl)prop-2-en-1-one
CID 69021660
(E)-3-(2-chloro-3,4-dimethoxyphenyl)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)prop-2-en-1-one
CID 21031148
3-(2-chloro-3,4-dimethoxyphenyl)-1-(4-prop-2-enylpiperazin-1-yl)prop-2-en-1-one
CID 69022271
3-(2-amino-3,4-dimethoxyphenyl)prop-2-enoic acid
CID 139751034
(Z)-N-(3-chloro-4-iodophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 22301745

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3,4-dimethoxyphenyl)prop-2-enehydrazide?
The IUPAC name of 3-(2-chloro-3,4-dimethoxyphenyl)prop-2-enehydrazide (CID 2774974) is 3-(2-chloro-3,4-dimethoxyphenyl)prop-2-enehydrazide.
What is the SMILES notation for 3-(2-chloro-3,4-dimethoxyphenyl)prop-2-enehydrazide?
The canonical SMILES for 3-(2-chloro-3,4-dimethoxyphenyl)prop-2-enehydrazide is COc1ccc(C=CC(=O)NN)c(Cl)c1OC.
What is the InChIKey of 3-(2-chloro-3,4-dimethoxyphenyl)prop-2-enehydrazide?
The InChIKey is XDUQFMKRVAWHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c1-16-8-5-3-7(4-6-9(15)14-13)10(12)11(8)17-2/h3-6H,13H2,1-2H3,(H,14,15).
What are the key properties of 3-(2-chloro-3,4-dimethoxyphenyl)prop-2-enehydrazide?
3-(2-chloro-3,4-dimethoxyphenyl)prop-2-enehydrazide has a molecular weight of 256.69 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3,4-dimethoxyphenyl)prop-2-enehydrazide is sourced from PubChem (CID 2774974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).