acetaldehyde;2-hydrazinyl-N-methylaniline

C9H15N3O — CID 143398007

IUPACacetaldehyde;2-hydrazinyl-N-methylaniline
SMILESCC=O.CNc1ccccc1NN
InChIInChI=1S/C7H11N3.C2H4O/c1-9-6-4-2-3-5-7(6)10-8;1-2-3/h2-5,9-10H,8H2,1H3;2H,1H3
InChIKeyOWWFMNPSXWRWIN-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.22
Rot. Bonds2

About acetaldehyde;2-hydrazinyl-N-methylaniline

acetaldehyde;2-hydrazinyl-N-methylaniline (PubChem CID 143398007) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is acetaldehyde;2-hydrazinyl-N-methylaniline.

Molecular Properties

Compound Nameacetaldehyde;2-hydrazinyl-N-methylaniline
PubChem CID143398007
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Nameacetaldehyde;2-hydrazinyl-N-methylaniline
SMILESCC=O.CNc1ccccc1NN
InChIInChI=1S/C7H11N3.C2H4O/c1-9-6-4-2-3-5-7(6)10-8;1-2-3/h2-5,9-10H,8H2,1H3;2H,1H3
InChIKeyOWWFMNPSXWRWIN-UHFFFAOYSA-N
XLogP1.22
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of acetaldehyde;2-hydrazinyl-N-methylaniline?
The IUPAC name of acetaldehyde;2-hydrazinyl-N-methylaniline (CID 143398007) is acetaldehyde;2-hydrazinyl-N-methylaniline.
What is the SMILES notation for acetaldehyde;2-hydrazinyl-N-methylaniline?
The canonical SMILES for acetaldehyde;2-hydrazinyl-N-methylaniline is CC=O.CNc1ccccc1NN.
What is the InChIKey of acetaldehyde;2-hydrazinyl-N-methylaniline?
The InChIKey is OWWFMNPSXWRWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3.C2H4O/c1-9-6-4-2-3-5-7(6)10-8;1-2-3/h2-5,9-10H,8H2,1H3;2H,1H3.
What are the key properties of acetaldehyde;2-hydrazinyl-N-methylaniline?
acetaldehyde;2-hydrazinyl-N-methylaniline has a molecular weight of 181.24 g/mol, XLogP of 1.22, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;2-hydrazinyl-N-methylaniline is sourced from PubChem (CID 143398007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).