N'-phenylprop-2-enehydrazide

C9H10N2O — CID 21179187

IUPACN'-phenylprop-2-enehydrazide
SMILESC=CC(=O)NNc1ccccc1
InChIInChI=1S/C9H10N2O/c1-2-9(12)11-10-8-6-4-3-5-7-8/h2-7,10H,1H2,(H,11,12)
InChIKeyAQNIKHBQYCPLDZ-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.32
Rot. Bonds3

About N'-phenylprop-2-enehydrazide

N'-phenylprop-2-enehydrazide (PubChem CID 21179187) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is N'-phenylprop-2-enehydrazide.

Molecular Properties

Compound NameN'-phenylprop-2-enehydrazide
PubChem CID21179187
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC NameN'-phenylprop-2-enehydrazide
SMILESC=CC(=O)NNc1ccccc1
InChIInChI=1S/C9H10N2O/c1-2-9(12)11-10-8-6-4-3-5-7-8/h2-7,10H,1H2,(H,11,12)
InChIKeyAQNIKHBQYCPLDZ-UHFFFAOYSA-N
XLogP1.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-phenylprop-2-enehydrazide?
The IUPAC name of N'-phenylprop-2-enehydrazide (CID 21179187) is N'-phenylprop-2-enehydrazide.
What is the SMILES notation for N'-phenylprop-2-enehydrazide?
The canonical SMILES for N'-phenylprop-2-enehydrazide is C=CC(=O)NNc1ccccc1.
What is the InChIKey of N'-phenylprop-2-enehydrazide?
The InChIKey is AQNIKHBQYCPLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-2-9(12)11-10-8-6-4-3-5-7-8/h2-7,10H,1H2,(H,11,12).
What are the key properties of N'-phenylprop-2-enehydrazide?
N'-phenylprop-2-enehydrazide has a molecular weight of 162.19 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-phenylprop-2-enehydrazide is sourced from PubChem (CID 21179187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).