4-(methylamino)-2-nitrosobenzonitrile

C8H7N3O — CID 138721766

IUPAC4-(methylamino)-2-nitrosobenzonitrile
SMILESCNc1ccc(C#N)c(N=O)c1
InChIInChI=1S/C8H7N3O/c1-10-7-3-2-6(5-9)8(4-7)11-12/h2-4,10H,1H3
InChIKeyBUGYYLQVHKWKIP-UHFFFAOYSA-N
MW161.16 g/mol
LogP2.00
Rot. Bonds2

About 4-(methylamino)-2-nitrosobenzonitrile

4-(methylamino)-2-nitrosobenzonitrile (PubChem CID 138721766) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 4-(methylamino)-2-nitrosobenzonitrile.

Molecular Properties

Compound Name4-(methylamino)-2-nitrosobenzonitrile
PubChem CID138721766
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name4-(methylamino)-2-nitrosobenzonitrile
SMILESCNc1ccc(C#N)c(N=O)c1
InChIInChI=1S/C8H7N3O/c1-10-7-3-2-6(5-9)8(4-7)11-12/h2-4,10H,1H3
InChIKeyBUGYYLQVHKWKIP-UHFFFAOYSA-N
XLogP2.00
TPSA65.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-nitrosobenzonitrile
CID 143999999
2-[3-(methylamino)anilino]benzonitrile
CID 117027188
methyl 3-cyano-4-nitrosobenzoate
CID 144844976
N-(3,4-dicyanophenyl)acetamide
CID 12938829
4-ethynyl-N,3-dimethylaniline
CID 138985683
N-(3-cyanophenyl)-4-(methylamino)benzamide
CID 62166375
4-bromo-2-(methylamino)benzonitrile
CID 24903089
2-methyl-5-nitrosobenzonitrile
CID 89161779
6-(methylamino)-1-benzofuran-2-carbonitrile
CID 46908320
2-[4-(dimethylamino)anilino]-4-methylbenzonitrile
CID 55057077
N-(3,4-dicyanophenyl)-2-(methylamino)benzamide
CID 107791441
3-chloro-4-ethynyl-N-methylaniline;hydrochloride
CID 138985686

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-2-nitrosobenzonitrile?
The IUPAC name of 4-(methylamino)-2-nitrosobenzonitrile (CID 138721766) is 4-(methylamino)-2-nitrosobenzonitrile.
What is the SMILES notation for 4-(methylamino)-2-nitrosobenzonitrile?
The canonical SMILES for 4-(methylamino)-2-nitrosobenzonitrile is CNc1ccc(C#N)c(N=O)c1.
What is the InChIKey of 4-(methylamino)-2-nitrosobenzonitrile?
The InChIKey is BUGYYLQVHKWKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c1-10-7-3-2-6(5-9)8(4-7)11-12/h2-4,10H,1H3.
What are the key properties of 4-(methylamino)-2-nitrosobenzonitrile?
4-(methylamino)-2-nitrosobenzonitrile has a molecular weight of 161.16 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-2-nitrosobenzonitrile is sourced from PubChem (CID 138721766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).