3-(2-phenylhydrazinyl)butanal

C10H14N2O — CID 88651914

IUPAC3-(2-phenylhydrazinyl)butanal
SMILESCC(CC=O)NNc1ccccc1
InChIInChI=1S/C10H14N2O/c1-9(7-8-13)11-12-10-5-3-2-4-6-10/h2-6,8-9,11-12H,7H2,1H3
InChIKeyNSRYDWUBJREECA-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.58
Rot. Bonds5

About 3-(2-phenylhydrazinyl)butanal

3-(2-phenylhydrazinyl)butanal (PubChem CID 88651914) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 3-(2-phenylhydrazinyl)butanal.

Molecular Properties

Compound Name3-(2-phenylhydrazinyl)butanal
PubChem CID88651914
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name3-(2-phenylhydrazinyl)butanal
SMILESCC(CC=O)NNc1ccccc1
InChIInChI=1S/C10H14N2O/c1-9(7-8-13)11-12-10-5-3-2-4-6-10/h2-6,8-9,11-12H,7H2,1H3
InChIKeyNSRYDWUBJREECA-UHFFFAOYSA-N
XLogP1.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-phenylhydrazinyl)propanoic acid
CID 77247806
(3R)-3-phenylbutanal
CID 10877278
3-amino-3-anilinopropanal
CID 57291252
3-[(9,10-dioxoanthracen-2-yl)amino]butanal
CID 13214483
2-anilino-4-oxobutanoic acid
CID 154361840
aniline;3-methylbutanal
CID 88664127
3,4-diphenylpentanal
CID 102432987
3-phenylselanylbutanal
CID 11831146
(2R,3R)-2-methyl-3-phenylpentanedial
CID 24741048
dimethyl-(2-oxoethyl)-phenylphosphanium
CID 88763012
N-ethylaniline;formamide
CID 174905180
2-[(2R)-2-hydroxypropyl]-1-N',3-N'-diphenylpropanedihydrazide
CID 1239861

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylhydrazinyl)butanal?
The IUPAC name of 3-(2-phenylhydrazinyl)butanal (CID 88651914) is 3-(2-phenylhydrazinyl)butanal.
What is the SMILES notation for 3-(2-phenylhydrazinyl)butanal?
The canonical SMILES for 3-(2-phenylhydrazinyl)butanal is CC(CC=O)NNc1ccccc1.
What is the InChIKey of 3-(2-phenylhydrazinyl)butanal?
The InChIKey is NSRYDWUBJREECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-9(7-8-13)11-12-10-5-3-2-4-6-10/h2-6,8-9,11-12H,7H2,1H3.
What are the key properties of 3-(2-phenylhydrazinyl)butanal?
3-(2-phenylhydrazinyl)butanal has a molecular weight of 178.24 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylhydrazinyl)butanal is sourced from PubChem (CID 88651914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).