ethyl 4-methyl-3-nitrosobenzenecarboximidate

C10H12N2O2 — CID 88896506

IUPACethyl 4-methyl-3-nitrosobenzenecarboximidate
SMILES[H]/N=C(\OCC)c1ccc(C)c(N=O)c1
InChIInChI=1S/C10H12N2O2/c1-3-14-10(11)8-5-4-7(2)9(6-8)12-13/h4-6,11H,3H2,1-2H3/b11-10-
InChIKeyHXHVMMFANFLOJP-KHPPLWFESA-N
MW192.22 g/mol
LogP2.75
Rot. Bonds3

About ethyl 4-methyl-3-nitrosobenzenecarboximidate

ethyl 4-methyl-3-nitrosobenzenecarboximidate (PubChem CID 88896506) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is ethyl 4-methyl-3-nitrosobenzenecarboximidate.

Molecular Properties

Compound Nameethyl 4-methyl-3-nitrosobenzenecarboximidate
PubChem CID88896506
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Nameethyl 4-methyl-3-nitrosobenzenecarboximidate
SMILES[H]/N=C(\OCC)c1ccc(C)c(N=O)c1
InChIInChI=1S/C10H12N2O2/c1-3-14-10(11)8-5-4-7(2)9(6-8)12-13/h4-6,11H,3H2,1-2H3/b11-10-
InChIKeyHXHVMMFANFLOJP-KHPPLWFESA-N
XLogP2.75
TPSA62.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze ethyl 4-methyl-3-nitrosobenzenecarboximidate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[4-(C-ethoxycarbonimidoyl)phenyl]benzenecarboximidate;methane
CID 159044199
ethyl 3-fluoro-4-hydroxybenzenecarboximidate
CID 136810245
ethane;ethyl 3,5-dimethylbenzenecarboximidate
CID 145326468
2-[4-(C-ethoxycarbonimidoyl)phenyl]acetic acid
CID 165357218
ethyl 3-chloro-4-fluorobenzenecarboximidate chloride
CID 45108649
ethyl 4-[6-[4-(C-ethoxycarbonimidoyl)phenyl]-2-methylpyrimidin-4-yl]benzenecarboximidate
CID 10786513
ethyl 3-(2-bromoacetyl)benzenecarboximidate
CID 13318672
ethyl 1H-pyrrole-3-carboximidate
CID 136970008
[3-(C-ethoxycarbonimidoyl)phenyl]boronic acid
CID 55266619
ethyl 4-(trifluoromethylsulfanyl)benzenecarboximidate
CID 60985373
ethyl 4-(2-phenylethenyl)benzenecarboximidate;hydrochloride
CID 70566768
ethyl 3-(hydroxymethyl)-5-(methoxymethyl)benzenecarboximidate
CID 22996176

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-3-nitrosobenzenecarboximidate?
The IUPAC name of ethyl 4-methyl-3-nitrosobenzenecarboximidate (CID 88896506) is ethyl 4-methyl-3-nitrosobenzenecarboximidate.
What is the SMILES notation for ethyl 4-methyl-3-nitrosobenzenecarboximidate?
The canonical SMILES for ethyl 4-methyl-3-nitrosobenzenecarboximidate is [H]/N=C(\OCC)c1ccc(C)c(N=O)c1.
What is the InChIKey of ethyl 4-methyl-3-nitrosobenzenecarboximidate?
The InChIKey is HXHVMMFANFLOJP-KHPPLWFESA-N. The full InChI is InChI=1S/C10H12N2O2/c1-3-14-10(11)8-5-4-7(2)9(6-8)12-13/h4-6,11H,3H2,1-2H3/b11-10-.
What are the key properties of ethyl 4-methyl-3-nitrosobenzenecarboximidate?
ethyl 4-methyl-3-nitrosobenzenecarboximidate has a molecular weight of 192.22 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-3-nitrosobenzenecarboximidate is sourced from PubChem (CID 88896506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).