4-[(1R)-1-hydrazinylethyl]benzaldehyde

C9H12N2O — CID 89028166

IUPAC4-[(1R)-1-hydrazinylethyl]benzaldehyde
SMILESC[C@@H](NN)c1ccc(C=O)cc1
InChIInChI=1S/C9H12N2O/c1-7(11-10)9-4-2-8(6-12)3-5-9/h2-7,11H,10H2,1H3/t7-/m1/s1
InChIKeySOCXAVDSRJCFKR-SSDOTTSWSA-N
MW164.21 g/mol
LogP1.02
Rot. Bonds3

About 4-[(1R)-1-hydrazinylethyl]benzaldehyde

4-[(1R)-1-hydrazinylethyl]benzaldehyde (PubChem CID 89028166) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 4-[(1R)-1-hydrazinylethyl]benzaldehyde.

Molecular Properties

Compound Name4-[(1R)-1-hydrazinylethyl]benzaldehyde
PubChem CID89028166
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name4-[(1R)-1-hydrazinylethyl]benzaldehyde
SMILESC[C@@H](NN)c1ccc(C=O)cc1
InChIInChI=1S/C9H12N2O/c1-7(11-10)9-4-2-8(6-12)3-5-9/h2-7,11H,10H2,1H3/t7-/m1/s1
InChIKeySOCXAVDSRJCFKR-SSDOTTSWSA-N
XLogP1.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(1S)-1-hydrazinylethyl]benzaldehyde
CID 87419135
4-propan-2-ylbenzaldehyde
CID 326
[(1S)-1-(4-formylphenyl)ethyl]carbamic acid
CID 118959221
N-[(1R)-1-(4-formylphenyl)ethyl]methanesulfonamide
CID 86691231
4-[(1R)-1-fluoroethyl]benzaldehyde
CID 124547500
ethane;iodomethane;4-propan-2-ylbenzaldehyde
CID 145474217
4-(1-hydroxypropan-2-yl)benzaldehyde
CID 130131368
1-(4-propan-2-ylsulfanylphenyl)ethylhydrazine
CID 82470792
4-[2-(4-formylphenyl)propyl]benzaldehyde
CID 141344923
3-amino-4-(1-phenylethylamino)benzaldehyde
CID 166842127
4-hydroxybenzaldehyde;propan-2-ol
CID 18939132
4-[chloro(fluoro)methyl]benzaldehyde
CID 54039604

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-hydrazinylethyl]benzaldehyde?
The IUPAC name of 4-[(1R)-1-hydrazinylethyl]benzaldehyde (CID 89028166) is 4-[(1R)-1-hydrazinylethyl]benzaldehyde.
What is the SMILES notation for 4-[(1R)-1-hydrazinylethyl]benzaldehyde?
The canonical SMILES for 4-[(1R)-1-hydrazinylethyl]benzaldehyde is C[C@@H](NN)c1ccc(C=O)cc1.
What is the InChIKey of 4-[(1R)-1-hydrazinylethyl]benzaldehyde?
The InChIKey is SOCXAVDSRJCFKR-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H12N2O/c1-7(11-10)9-4-2-8(6-12)3-5-9/h2-7,11H,10H2,1H3/t7-/m1/s1.
What are the key properties of 4-[(1R)-1-hydrazinylethyl]benzaldehyde?
4-[(1R)-1-hydrazinylethyl]benzaldehyde has a molecular weight of 164.21 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-hydrazinylethyl]benzaldehyde is sourced from PubChem (CID 89028166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).