1-[(4-methoxyphenyl)hydrazinylidene]butan-2-yl formate

C12H16N2O3 — CID 174940935

IUPAC1-[(4-methoxyphenyl)hydrazinylidene]butan-2-yl formate
SMILESCCC(C=NNc1ccc(OC)cc1)OC=O
InChIInChI=1S/C12H16N2O3/c1-3-11(17-9-15)8-13-14-10-4-6-12(16-2)7-5-10/h4-9,11,14H,3H2,1-2H3
InChIKeyZZVNUQSAPQJTDI-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.04
Rot. Bonds7

About 1-[(4-methoxyphenyl)hydrazinylidene]butan-2-yl formate

1-[(4-methoxyphenyl)hydrazinylidene]butan-2-yl formate (PubChem CID 174940935) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)hydrazinylidene]butan-2-yl formate.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)hydrazinylidene]butan-2-yl formate
PubChem CID174940935
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name1-[(4-methoxyphenyl)hydrazinylidene]butan-2-yl formate
SMILESCCC(C=NNc1ccc(OC)cc1)OC=O
InChIInChI=1S/C12H16N2O3/c1-3-11(17-9-15)8-13-14-10-4-6-12(16-2)7-5-10/h4-9,11,14H,3H2,1-2H3
InChIKeyZZVNUQSAPQJTDI-UHFFFAOYSA-N
XLogP2.04
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-(propan-2-yldiazenyl)aniline
CID 19905788
1-[(4-methoxyphenyl)hydrazinylidene]-3-(4-propan-2-ylphenyl)sulfanylpropan-2-one
CID 67634039
3-ethyl-2-(4-methoxyanilino)pentanamide
CID 61317708
1-(2,5-dimethylphenyl)sulfanyl-3-[(4-methoxyphenyl)hydrazinylidene]propan-2-one
CID 67634566
N,N-diethyl-2-(4-methoxyanilino)propanamide
CID 43112882
(2R)-2-hydroxy-N-(4-methoxyphenyl)butanamide
CID 139626636
4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenol
CID 135510327
1-(4-methoxyphenyl)-2-methylbutan-1-one
CID 12600283
N-[(E)-(1-butylpyridin-1-ium-4-yl)methylideneamino]-4-methoxyaniline
CID 140695984
N-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-4-methoxyaniline
CID 110509009
1-(4-fluorophenyl)sulfanyl-3-[(4-methoxyphenyl)hydrazinylidene]propan-2-one
CID 67633279
ethyl (1E)-2-chloro-N-(4-methoxyphenyl)-2-oxoethanehydrazonate
CID 138388179

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)hydrazinylidene]butan-2-yl formate?
The IUPAC name of 1-[(4-methoxyphenyl)hydrazinylidene]butan-2-yl formate (CID 174940935) is 1-[(4-methoxyphenyl)hydrazinylidene]butan-2-yl formate.
What is the SMILES notation for 1-[(4-methoxyphenyl)hydrazinylidene]butan-2-yl formate?
The canonical SMILES for 1-[(4-methoxyphenyl)hydrazinylidene]butan-2-yl formate is CCC(C=NNc1ccc(OC)cc1)OC=O.
What is the InChIKey of 1-[(4-methoxyphenyl)hydrazinylidene]butan-2-yl formate?
The InChIKey is ZZVNUQSAPQJTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-3-11(17-9-15)8-13-14-10-4-6-12(16-2)7-5-10/h4-9,11,14H,3H2,1-2H3.
What are the key properties of 1-[(4-methoxyphenyl)hydrazinylidene]butan-2-yl formate?
1-[(4-methoxyphenyl)hydrazinylidene]butan-2-yl formate has a molecular weight of 236.27 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)hydrazinylidene]butan-2-yl formate is sourced from PubChem (CID 174940935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).