3-chloro-4-methanehydrazonoyl-N,N-dimethylaniline

C9H12ClN3 — CID 168531233

IUPAC3-chloro-4-methanehydrazonoyl-N,N-dimethylaniline
SMILESCN(C)c1ccc(C=NN)c(Cl)c1
InChIInChI=1S/C9H12ClN3/c1-13(2)8-4-3-7(6-12-11)9(10)5-8/h3-6H,11H2,1-2H3
InChIKeyIHROKVAROMXVTA-UHFFFAOYSA-N
MW197.67 g/mol
LogP1.70
Rot. Bonds2

About 3-chloro-4-methanehydrazonoyl-N,N-dimethylaniline

3-chloro-4-methanehydrazonoyl-N,N-dimethylaniline (PubChem CID 168531233) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is 3-chloro-4-methanehydrazonoyl-N,N-dimethylaniline.

Molecular Properties

Compound Name3-chloro-4-methanehydrazonoyl-N,N-dimethylaniline
PubChem CID168531233
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC Name3-chloro-4-methanehydrazonoyl-N,N-dimethylaniline
SMILESCN(C)c1ccc(C=NN)c(Cl)c1
InChIInChI=1S/C9H12ClN3/c1-13(2)8-4-3-7(6-12-11)9(10)5-8/h3-6H,11H2,1-2H3
InChIKeyIHROKVAROMXVTA-UHFFFAOYSA-N
XLogP1.70
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_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 3-chloro-4-methanehydrazonoyl-N,N-dimethylaniline?
The IUPAC name of 3-chloro-4-methanehydrazonoyl-N,N-dimethylaniline (CID 168531233) is 3-chloro-4-methanehydrazonoyl-N,N-dimethylaniline.
What is the SMILES notation for 3-chloro-4-methanehydrazonoyl-N,N-dimethylaniline?
The canonical SMILES for 3-chloro-4-methanehydrazonoyl-N,N-dimethylaniline is CN(C)c1ccc(C=NN)c(Cl)c1.
What is the InChIKey of 3-chloro-4-methanehydrazonoyl-N,N-dimethylaniline?
The InChIKey is IHROKVAROMXVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3/c1-13(2)8-4-3-7(6-12-11)9(10)5-8/h3-6H,11H2,1-2H3.
What are the key properties of 3-chloro-4-methanehydrazonoyl-N,N-dimethylaniline?
3-chloro-4-methanehydrazonoyl-N,N-dimethylaniline has a molecular weight of 197.67 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methanehydrazonoyl-N,N-dimethylaniline is sourced from PubChem (CID 168531233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).