2,3-bis(ethenyl)-4-methyl-5-nitrosoaniline

C11H12N2O — CID 142851551

IUPAC2,3-bis(ethenyl)-4-methyl-5-nitrosoaniline
SMILESC=Cc1c(N)cc(N=O)c(C)c1C=C
InChIInChI=1S/C11H12N2O/c1-4-8-7(3)11(13-14)6-10(12)9(8)5-2/h4-6H,1-2,12H2,3H3
InChIKeyXNBDLYAICOSBQP-UHFFFAOYSA-N
MW188.23 g/mol
LogP3.26
Rot. Bonds3

About 2,3-bis(ethenyl)-4-methyl-5-nitrosoaniline

2,3-bis(ethenyl)-4-methyl-5-nitrosoaniline (PubChem CID 142851551) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-4-methyl-5-nitrosoaniline.

Molecular Properties

Compound Name2,3-bis(ethenyl)-4-methyl-5-nitrosoaniline
PubChem CID142851551
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2,3-bis(ethenyl)-4-methyl-5-nitrosoaniline
SMILESC=Cc1c(N)cc(N=O)c(C)c1C=C
InChIInChI=1S/C11H12N2O/c1-4-8-7(3)11(13-14)6-10(12)9(8)5-2/h4-6H,1-2,12H2,3H3
InChIKeyXNBDLYAICOSBQP-UHFFFAOYSA-N
XLogP3.26
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2,3-bis(ethenyl)-6-methylphenol
CID 163302498
2-ethenyl-3-ethyl-5-fluoroaniline
CID 142576679
1-(5-ethenyl-3,4-dimethyl-1H-pyrrol-2-yl)-N-[2-[(5-ethenyl-3,4-dimethyl-1H-pyrrol-2-yl)methylideneamino]-4,5-bis(methylideneamino)phenyl]methanimine
CID 137238924
3-ethenyl-4,6-dimethylpyridin-2-amine
CID 74888687
5-chloro-1,2-dimethyl-3-nitrosobenzene;ethane
CID 142017743
2,5-bis(4-methylphenyl)-4-nitrosoaniline
CID 163696551
1-(2-amino-5-fluoro-4-nitrosophenyl)propan-1-one
CID 143172262
2-ethenyl-1,3,5-trimethylbenzene
CID 158735169
3-bromo-2-ethenyl-4-methylaniline
CID 154990614
4-ethenyl-2-methyl-5-(4-methylpentan-2-yl)benzene-1,3-diamine
CID 130222002
3-(4-amino-5-methoxy-2-nitrosophenyl)propanal
CID 89285647
3-amino-4-hydroxy-5-nitrosobenzaldehyde
CID 126657212

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-4-methyl-5-nitrosoaniline?
The IUPAC name of 2,3-bis(ethenyl)-4-methyl-5-nitrosoaniline (CID 142851551) is 2,3-bis(ethenyl)-4-methyl-5-nitrosoaniline.
What is the SMILES notation for 2,3-bis(ethenyl)-4-methyl-5-nitrosoaniline?
The canonical SMILES for 2,3-bis(ethenyl)-4-methyl-5-nitrosoaniline is C=Cc1c(N)cc(N=O)c(C)c1C=C.
What is the InChIKey of 2,3-bis(ethenyl)-4-methyl-5-nitrosoaniline?
The InChIKey is XNBDLYAICOSBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-4-8-7(3)11(13-14)6-10(12)9(8)5-2/h4-6H,1-2,12H2,3H3.
What are the key properties of 2,3-bis(ethenyl)-4-methyl-5-nitrosoaniline?
2,3-bis(ethenyl)-4-methyl-5-nitrosoaniline has a molecular weight of 188.23 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-4-methyl-5-nitrosoaniline is sourced from PubChem (CID 142851551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).