N,N-dimethyl-4-nitrosoaniline

C8H10N2O — CID 8749

IUPACN,N-dimethyl-4-nitrosoaniline
SMILESCN(C)c1ccc(N=O)cc1
InChIInChI=1S/C8H10N2O/c1-10(2)8-5-3-7(9-11)4-6-8/h3-6H,1-2H3
InChIKeyCMEWLCATCRTSGF-UHFFFAOYSA-N
MW150.18 g/mol
LogP2.15
Rot. Bonds2

About N,N-dimethyl-4-nitrosoaniline

N,N-dimethyl-4-nitrosoaniline (PubChem CID 8749) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is N,N-dimethyl-4-nitrosoaniline.

Molecular Properties

Compound NameN,N-dimethyl-4-nitrosoaniline
PubChem CID8749
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC NameN,N-dimethyl-4-nitrosoaniline
SMILESCN(C)c1ccc(N=O)cc1
InChIInChI=1S/C8H10N2O/c1-10(2)8-5-3-7(9-11)4-6-8/h3-6H,1-2H3
InChIKeyCMEWLCATCRTSGF-UHFFFAOYSA-N
XLogP2.15
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-nitrosoaniline?
The IUPAC name of N,N-dimethyl-4-nitrosoaniline (CID 8749) is N,N-dimethyl-4-nitrosoaniline.
What is the SMILES notation for N,N-dimethyl-4-nitrosoaniline?
The canonical SMILES for N,N-dimethyl-4-nitrosoaniline is CN(C)c1ccc(N=O)cc1.
What is the InChIKey of N,N-dimethyl-4-nitrosoaniline?
The InChIKey is CMEWLCATCRTSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-10(2)8-5-3-7(9-11)4-6-8/h3-6H,1-2H3.
What are the key properties of N,N-dimethyl-4-nitrosoaniline?
N,N-dimethyl-4-nitrosoaniline has a molecular weight of 150.18 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-nitrosoaniline is sourced from PubChem (CID 8749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).