(4-hydrazinylphenyl) propanoate

C9H12N2O2 — CID 57133052

IUPAC(4-hydrazinylphenyl) propanoate
SMILESCCC(=O)Oc1ccc(NN)cc1
InChIInChI=1S/C9H12N2O2/c1-2-9(12)13-8-5-3-7(11-10)4-6-8/h3-6,11H,2,10H2,1H3
InChIKeyMDGIKGOUADPHFG-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.29
Rot. Bonds3

About (4-hydrazinylphenyl) propanoate

(4-hydrazinylphenyl) propanoate (PubChem CID 57133052) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is (4-hydrazinylphenyl) propanoate.

Molecular Properties

Compound Name(4-hydrazinylphenyl) propanoate
PubChem CID57133052
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name(4-hydrazinylphenyl) propanoate
SMILESCCC(=O)Oc1ccc(NN)cc1
InChIInChI=1S/C9H12N2O2/c1-2-9(12)13-8-5-3-7(11-10)4-6-8/h3-6,11H,2,10H2,1H3
InChIKeyMDGIKGOUADPHFG-UHFFFAOYSA-N
XLogP1.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.29
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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-(methylamino)phenyl] propanoate
CID 129013765
[4-[(N'-methylcarbamimidoyl)amino]phenyl] propanoate
CID 68910088
[4-(aminomethyl)phenyl] propanoate
CID 23063742
phenyl propanoate
CID 161258381
(4-propanoylphenyl) propanoate
CID 19170728
CID 161494205
CID 161494205
acetamide;phenyl propanoate
CID 175120271
[4-[4-[[4-(4-propanoyloxyphenyl)phenyl]methyl]phenyl]phenyl] propanoate
CID 155670242
[4-[(3R,4R)-4-(4-propanoyloxyphenyl)hexan-3-yl]phenyl] propanoate
CID 7005058
(4-cyanophenyl) propanoate
CID 643285
(4-methanehydrazonoylphenyl) propanoate
CID 168530335
[4-(2-aminopropyl)phenyl] propanoate
CID 67868475

Frequently Asked Questions

What is the IUPAC name of (4-hydrazinylphenyl) propanoate?
The IUPAC name of (4-hydrazinylphenyl) propanoate (CID 57133052) is (4-hydrazinylphenyl) propanoate.
What is the SMILES notation for (4-hydrazinylphenyl) propanoate?
The canonical SMILES for (4-hydrazinylphenyl) propanoate is CCC(=O)Oc1ccc(NN)cc1.
What is the InChIKey of (4-hydrazinylphenyl) propanoate?
The InChIKey is MDGIKGOUADPHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-2-9(12)13-8-5-3-7(11-10)4-6-8/h3-6,11H,2,10H2,1H3.
What are the key properties of (4-hydrazinylphenyl) propanoate?
(4-hydrazinylphenyl) propanoate has a molecular weight of 180.21 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydrazinylphenyl) propanoate is sourced from PubChem (CID 57133052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).