3-[1-(methoxyamino)ethenyl]benzonitrile

C10H10N2O — CID 57324231

IUPAC3-[1-(methoxyamino)ethenyl]benzonitrile
SMILESC=C(NOC)c1cccc(C#N)c1
InChIInChI=1S/C10H10N2O/c1-8(12-13-2)10-5-3-4-9(6-10)7-11/h3-6,12H,1H2,2H3
InChIKeyJYDBXGPVFMWXAD-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.68
Rot. Bonds3

About 3-[1-(methoxyamino)ethenyl]benzonitrile

3-[1-(methoxyamino)ethenyl]benzonitrile (PubChem CID 57324231) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-[1-(methoxyamino)ethenyl]benzonitrile.

Molecular Properties

Compound Name3-[1-(methoxyamino)ethenyl]benzonitrile
PubChem CID57324231
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name3-[1-(methoxyamino)ethenyl]benzonitrile
SMILESC=C(NOC)c1cccc(C#N)c1
InChIInChI=1S/C10H10N2O/c1-8(12-13-2)10-5-3-4-9(6-10)7-11/h3-6,12H,1H2,2H3
InChIKeyJYDBXGPVFMWXAD-UHFFFAOYSA-N
XLogP1.68
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Aminocinnamonitrile
CID 1711920
(Z)-3-amino-3-phenyl-2-propenenitrile
CID 74575
2-Fluoro-5-(methoxyamino-methyl)-benzonitrile
CID 21947464
3-Amino-2-methyl-3-phenylacrylonitrile
CID 6371378
3-Amino-3-phenyl-2-propenenitrile
CID 5370582
4-(Methoxyamino-methyl)-benzonitrile
CID 21947408
N-[1-(2-fluoro-5-methylphenyl)ethenyl]hydroxylamine
CID 23394254
N-methoxy-1-[3-(trifluoromethyl)phenyl]ethenamine
CID 56978932
1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methoxyethenamine
CID 57046147
1-(2,4-difluorophenyl)-N-methoxyethenamine
CID 57050334
1-(3,4-difluorophenyl)-N-methoxyethenamine
CID 57058181
1-(2-fluorophenyl)-N-methoxyethenamine
CID 57082075

Frequently Asked Questions

What is the IUPAC name of 3-[1-(methoxyamino)ethenyl]benzonitrile?
The IUPAC name of 3-[1-(methoxyamino)ethenyl]benzonitrile (CID 57324231) is 3-[1-(methoxyamino)ethenyl]benzonitrile.
What is the SMILES notation for 3-[1-(methoxyamino)ethenyl]benzonitrile?
The canonical SMILES for 3-[1-(methoxyamino)ethenyl]benzonitrile is C=C(NOC)c1cccc(C#N)c1.
What is the InChIKey of 3-[1-(methoxyamino)ethenyl]benzonitrile?
The InChIKey is JYDBXGPVFMWXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-8(12-13-2)10-5-3-4-9(6-10)7-11/h3-6,12H,1H2,2H3.
What are the key properties of 3-[1-(methoxyamino)ethenyl]benzonitrile?
3-[1-(methoxyamino)ethenyl]benzonitrile has a molecular weight of 174.20 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(methoxyamino)ethenyl]benzonitrile is sourced from PubChem (CID 57324231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).