ethyl 4-(1-hydrazinylpentyl)benzoate

C14H22N2O2 — CID 58856235

IUPACethyl 4-(1-hydrazinylpentyl)benzoate
SMILESCCCCC(NN)c1ccc(C(=O)OCC)cc1
InChIInChI=1S/C14H22N2O2/c1-3-5-6-13(16-15)11-7-9-12(10-8-11)14(17)18-4-2/h7-10,13,16H,3-6,15H2,1-2H3
InChIKeyWUTLDZFAOPDDCU-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.56
Rot. Bonds7

About ethyl 4-(1-hydrazinylpentyl)benzoate

ethyl 4-(1-hydrazinylpentyl)benzoate (PubChem CID 58856235) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is ethyl 4-(1-hydrazinylpentyl)benzoate.

Molecular Properties

Compound Nameethyl 4-(1-hydrazinylpentyl)benzoate
PubChem CID58856235
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Nameethyl 4-(1-hydrazinylpentyl)benzoate
SMILESCCCCC(NN)c1ccc(C(=O)OCC)cc1
InChIInChI=1S/C14H22N2O2/c1-3-5-6-13(16-15)11-7-9-12(10-8-11)14(17)18-4-2/h7-10,13,16H,3-6,15H2,1-2H3
InChIKeyWUTLDZFAOPDDCU-UHFFFAOYSA-N
XLogP2.56
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-(1-hydrazinylpentyl)benzoate;2,2,2-trifluoroacetic acid
CID 171932922
ethyl 4-(1-hydroxybutyl)benzoate
CID 67981039
4-(1-hydrazinylpentyl)phenol
CID 53402339
methyl 4-[(1R)-1-(chloroamino)pentyl]benzoate
CID 88905789
ethyl 4-(1-aminohexyl)benzoate
CID 57209566
1-(4-butoxyphenyl)pentylhydrazine
CID 105293831
ethyl 4-[1-(hydrazinecarbonyloxy)hexan-2-ylamino]benzoate
CID 146224133
1-O-ethyl 4-O-octan-4-yl benzene-1,4-dicarboxylate
CID 91727078
ethyl 4-[3-ethoxy-1-(methylamino)-3-oxopropyl]benzoate
CID 143084603
1-(4-fluorophenyl)pentylhydrazine
CID 53402329
[(1S)-1-phenylpentyl]hydrazine
CID 124537681
ethyl 4-[[(2S)-2-aminohexanoyl]amino]benzoate
CID 103830868

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1-hydrazinylpentyl)benzoate?
The IUPAC name of ethyl 4-(1-hydrazinylpentyl)benzoate (CID 58856235) is ethyl 4-(1-hydrazinylpentyl)benzoate.
What is the SMILES notation for ethyl 4-(1-hydrazinylpentyl)benzoate?
The canonical SMILES for ethyl 4-(1-hydrazinylpentyl)benzoate is CCCCC(NN)c1ccc(C(=O)OCC)cc1.
What is the InChIKey of ethyl 4-(1-hydrazinylpentyl)benzoate?
The InChIKey is WUTLDZFAOPDDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-5-6-13(16-15)11-7-9-12(10-8-11)14(17)18-4-2/h7-10,13,16H,3-6,15H2,1-2H3.
What are the key properties of ethyl 4-(1-hydrazinylpentyl)benzoate?
ethyl 4-(1-hydrazinylpentyl)benzoate has a molecular weight of 250.34 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1-hydrazinylpentyl)benzoate is sourced from PubChem (CID 58856235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).