4-phenylbut-3-enehydrazide

C10H12N2O — CID 173237990

IUPAC4-phenylbut-3-enehydrazide
SMILESNNC(=O)CC=Cc1ccccc1
InChIInChI=1S/C10H12N2O/c11-12-10(13)8-4-7-9-5-2-1-3-6-9/h1-7H,8,11H2,(H,12,13)
InChIKeyUYBXWCWPAADAJR-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.08
Rot. Bonds3

About 4-phenylbut-3-enehydrazide

4-phenylbut-3-enehydrazide (PubChem CID 173237990) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 4-phenylbut-3-enehydrazide.

Molecular Properties

Compound Name4-phenylbut-3-enehydrazide
PubChem CID173237990
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name4-phenylbut-3-enehydrazide
SMILESNNC(=O)CC=Cc1ccccc1
InChIInChI=1S/C10H12N2O/c11-12-10(13)8-4-7-9-5-2-1-3-6-9/h1-7H,8,11H2,(H,12,13)
InChIKeyUYBXWCWPAADAJR-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-iodoacetamide;2-iodoacetohydrazide;stilbene
CID 174899327
zinc bis(4-phenylbut-3-enoate)
CID 66673127
4-[4-(hydrazinecarbonyl)phenyl]but-3-enamide
CID 170798274
4-[4-(hydrazinecarbonyl)phenyl]but-3-enoic acid
CID 170483911
methyl 4-phenylbut-3-enoate;molecular nitrogen
CID 175524038
(E)-N-(4-nitrophenyl)-4-phenylbut-3-enamide
CID 62706949
4-(4-hydrazinylphenyl)but-3-enamide
CID 170797562
(E)-2-methylidene-5-phenylpent-4-enoate
CID 22242504
(E)-N-(3-ethenoxypropyl)-4-phenylbut-3-enamide
CID 20697234
2-phenyl-2-(3-phenylprop-2-enoxy)acetohydrazide
CID 77002066
3-[4-(2-phenylethenyl)phenyl]prop-2-enehydrazide
CID 70432340
sodium 2-methylidene-5-phenylpent-4-enoate
CID 66780635

Frequently Asked Questions

What is the IUPAC name of 4-phenylbut-3-enehydrazide?
The IUPAC name of 4-phenylbut-3-enehydrazide (CID 173237990) is 4-phenylbut-3-enehydrazide.
What is the SMILES notation for 4-phenylbut-3-enehydrazide?
The canonical SMILES for 4-phenylbut-3-enehydrazide is NNC(=O)CC=Cc1ccccc1.
What is the InChIKey of 4-phenylbut-3-enehydrazide?
The InChIKey is UYBXWCWPAADAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c11-12-10(13)8-4-7-9-5-2-1-3-6-9/h1-7H,8,11H2,(H,12,13).
What are the key properties of 4-phenylbut-3-enehydrazide?
4-phenylbut-3-enehydrazide has a molecular weight of 176.22 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylbut-3-enehydrazide is sourced from PubChem (CID 173237990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).