3-prop-2-enylbenzohydrazide

C10H12N2O — CID 20555786

IUPAC3-prop-2-enylbenzohydrazide
SMILESC=CCc1cccc(C(=O)NN)c1
InChIInChI=1S/C10H12N2O/c1-2-4-8-5-3-6-9(7-8)10(13)12-11/h2-3,5-7H,1,4,11H2,(H,12,13)
InChIKeyQFYPCESRLQZNDF-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.02
Rot. Bonds3

About 3-prop-2-enylbenzohydrazide

3-prop-2-enylbenzohydrazide (PubChem CID 20555786) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 3-prop-2-enylbenzohydrazide.

Molecular Properties

Compound Name3-prop-2-enylbenzohydrazide
PubChem CID20555786
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name3-prop-2-enylbenzohydrazide
SMILESC=CCc1cccc(C(=O)NN)c1
InChIInChI=1S/C10H12N2O/c1-2-4-8-5-3-6-9(7-8)10(13)12-11/h2-3,5-7H,1,4,11H2,(H,12,13)
InChIKeyQFYPCESRLQZNDF-UHFFFAOYSA-N
XLogP1.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enylbenzohydrazide?
The IUPAC name of 3-prop-2-enylbenzohydrazide (CID 20555786) is 3-prop-2-enylbenzohydrazide.
What is the SMILES notation for 3-prop-2-enylbenzohydrazide?
The canonical SMILES for 3-prop-2-enylbenzohydrazide is C=CCc1cccc(C(=O)NN)c1.
What is the InChIKey of 3-prop-2-enylbenzohydrazide?
The InChIKey is QFYPCESRLQZNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-2-4-8-5-3-6-9(7-8)10(13)12-11/h2-3,5-7H,1,4,11H2,(H,12,13).
What are the key properties of 3-prop-2-enylbenzohydrazide?
3-prop-2-enylbenzohydrazide has a molecular weight of 176.22 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enylbenzohydrazide is sourced from PubChem (CID 20555786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).