N-methyl-4-nitrosoaniline

C7H8N2O — CID 25417

IUPACN-methyl-4-nitrosoaniline
SMILESCNc1ccc(N=O)cc1
InChIInChI=1S/C7H8N2O/c1-8-6-2-4-7(9-10)5-3-6/h2-5,8H,1H3
InChIKeyZPHCTSKOFFWBHL-UHFFFAOYSA-N
MW136.15 g/mol
LogP2.13
Rot. Bonds2

About N-methyl-4-nitrosoaniline

N-methyl-4-nitrosoaniline (PubChem CID 25417) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is N-methyl-4-nitrosoaniline.

Molecular Properties

Compound NameN-methyl-4-nitrosoaniline
PubChem CID25417
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC NameN-methyl-4-nitrosoaniline
SMILESCNc1ccc(N=O)cc1
InChIInChI=1S/C7H8N2O/c1-8-6-2-4-7(9-10)5-3-6/h2-5,8H,1H3
InChIKeyZPHCTSKOFFWBHL-UHFFFAOYSA-N
XLogP2.13
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Methylaniline
CID 7515
N,N-dimethyl-4-nitrosoaniline
CID 8749
N-Ethylaniline
CID 7670
N,N-dimethyl-p-phenylenediamine
CID 7472
N,N-Diethyl-p-phenylenediamine
CID 7120
4-Nitrosodiphenylamine
CID 9074
N-Methyl-N-nitrosoaniline
CID 11957
N-Isopropylaniline
CID 13032
N,N'-Di-sec-butyl-p-phenylenediamine
CID 7589
4-Nitrodiphenylamine
CID 13271
N-Methyl-4-nitroaniline
CID 7483
N-Butylaniline
CID 14310

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-nitrosoaniline?
The IUPAC name of N-methyl-4-nitrosoaniline (CID 25417) is N-methyl-4-nitrosoaniline.
What is the SMILES notation for N-methyl-4-nitrosoaniline?
The canonical SMILES for N-methyl-4-nitrosoaniline is CNc1ccc(N=O)cc1.
What is the InChIKey of N-methyl-4-nitrosoaniline?
The InChIKey is ZPHCTSKOFFWBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c1-8-6-2-4-7(9-10)5-3-6/h2-5,8H,1H3.
What are the key properties of N-methyl-4-nitrosoaniline?
N-methyl-4-nitrosoaniline has a molecular weight of 136.15 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-nitrosoaniline is sourced from PubChem (CID 25417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).