3,5-dimethyl-4-nitrosoaniline

C8H10N2O — CID 23423646

IUPAC3,5-dimethyl-4-nitrosoaniline
SMILESCc1cc(N)cc(C)c1N=O
InChIInChI=1S/C8H10N2O/c1-5-3-7(9)4-6(2)8(5)10-11/h3-4H,9H2,1-2H3
InChIKeyMCJBZTGUAOETML-UHFFFAOYSA-N
MW150.18 g/mol
LogP2.28
Rot. Bonds1

About 3,5-dimethyl-4-nitrosoaniline

3,5-dimethyl-4-nitrosoaniline (PubChem CID 23423646) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 3,5-dimethyl-4-nitrosoaniline.

Molecular Properties

Compound Name3,5-dimethyl-4-nitrosoaniline
PubChem CID23423646
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name3,5-dimethyl-4-nitrosoaniline
SMILESCc1cc(N)cc(C)c1N=O
InChIInChI=1S/C8H10N2O/c1-5-3-7(9)4-6(2)8(5)10-11/h3-4H,9H2,1-2H3
InChIKeyMCJBZTGUAOETML-UHFFFAOYSA-N
XLogP2.28
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-nitrosoaniline?
The IUPAC name of 3,5-dimethyl-4-nitrosoaniline (CID 23423646) is 3,5-dimethyl-4-nitrosoaniline.
What is the SMILES notation for 3,5-dimethyl-4-nitrosoaniline?
The canonical SMILES for 3,5-dimethyl-4-nitrosoaniline is Cc1cc(N)cc(C)c1N=O.
What is the InChIKey of 3,5-dimethyl-4-nitrosoaniline?
The InChIKey is MCJBZTGUAOETML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-5-3-7(9)4-6(2)8(5)10-11/h3-4H,9H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-nitrosoaniline?
3,5-dimethyl-4-nitrosoaniline has a molecular weight of 150.18 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-nitrosoaniline is sourced from PubChem (CID 23423646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).