2-(phenylhydrazinylidene)hexanoate

C12H15N2O2- — CID 57359440

IUPAC2-(phenylhydrazinylidene)hexanoate
SMILESCCCCC(=NNc1ccccc1)C(=O)[O-]
InChIInChI=1S/C12H16N2O2/c1-2-3-9-11(12(15)16)14-13-10-7-5-4-6-8-10/h4-8,13H,2-3,9H2,1H3,(H,15,16)/p-1
InChIKeyDKGHHDCEXPWLRF-UHFFFAOYSA-M
MW219.26 g/mol
LogP1.39
Rot. Bonds6

About 2-(phenylhydrazinylidene)hexanoate

2-(phenylhydrazinylidene)hexanoate (PubChem CID 57359440) has the molecular formula C12H15N2O2- and a molecular weight of 219.26 g/mol. Its IUPAC name is 2-(phenylhydrazinylidene)hexanoate.

Molecular Properties

Compound Name2-(phenylhydrazinylidene)hexanoate
PubChem CID57359440
Molecular FormulaC12H15N2O2-
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name2-(phenylhydrazinylidene)hexanoate
SMILESCCCCC(=NNc1ccccc1)C(=O)[O-]
InChIInChI=1S/C12H16N2O2/c1-2-3-9-11(12(15)16)14-13-10-7-5-4-6-8-10/h4-8,13H,2-3,9H2,1H3,(H,15,16)/p-1
InChIKeyDKGHHDCEXPWLRF-UHFFFAOYSA-M
XLogP1.39
TPSA64.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 51.39
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

3-(phenylhydrazinylidene)pentan-2-one
CID 23263615
N-[(E)-undecan-2-ylideneamino]aniline
CID 5356948
dimethyl (2E)-2-(phenylhydrazinylidene)butanedioate
CID 16646134
(2Z)-4-methyl-2-(phenylhydrazinylidene)pentanoic acid
CID 18965760
(2Z)-2-benzylidenehexanoate
CID 21157937
2-hydroxyimino-1-phenylhexan-1-one
CID 71332647
N-butyl-N'-phenyloxamide
CID 2290889
(2E)-2-[[3-[(2E)-2-(1-carboxypropylidene)hydrazinyl]phenyl]hydrazinylidene]butanoic acid
CID 6392506
3-phenyl-2-(phenylhydrazinylidene)propanoyl chloride
CID 131710018
1-anilinooctan-4-one
CID 10680405
potassium 2-ethyl-2-(phenylcarbamoyl)hexanoate
CID 23672129
pentanoate;phenylazanium
CID 139301604

Frequently Asked Questions

What is the IUPAC name of 2-(phenylhydrazinylidene)hexanoate?
The IUPAC name of 2-(phenylhydrazinylidene)hexanoate (CID 57359440) is 2-(phenylhydrazinylidene)hexanoate.
What is the SMILES notation for 2-(phenylhydrazinylidene)hexanoate?
The canonical SMILES for 2-(phenylhydrazinylidene)hexanoate is CCCCC(=NNc1ccccc1)C(=O)[O-].
What is the InChIKey of 2-(phenylhydrazinylidene)hexanoate?
The InChIKey is DKGHHDCEXPWLRF-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H16N2O2/c1-2-3-9-11(12(15)16)14-13-10-7-5-4-6-8-10/h4-8,13H,2-3,9H2,1H3,(H,15,16)/p-1.
What are the key properties of 2-(phenylhydrazinylidene)hexanoate?
2-(phenylhydrazinylidene)hexanoate has a molecular weight of 219.26 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenylhydrazinylidene)hexanoate is sourced from PubChem (CID 57359440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).