2-[1-(4-chlorophenyl)ethenylamino]oxyacetonitrile

C10H9ClN2O — CID 57109794

IUPAC2-[1-(4-chlorophenyl)ethenylamino]oxyacetonitrile
SMILESC=C(NOCC#N)c1ccc(Cl)cc1
InChIInChI=1S/C10H9ClN2O/c1-8(13-14-7-6-12)9-2-4-10(11)5-3-9/h2-5,13H,1,7H2
InChIKeyNEQLPSGFKZVLJH-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.36
Rot. Bonds4

About 2-[1-(4-chlorophenyl)ethenylamino]oxyacetonitrile

2-[1-(4-chlorophenyl)ethenylamino]oxyacetonitrile (PubChem CID 57109794) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)ethenylamino]oxyacetonitrile.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)ethenylamino]oxyacetonitrile
PubChem CID57109794
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name2-[1-(4-chlorophenyl)ethenylamino]oxyacetonitrile
SMILESC=C(NOCC#N)c1ccc(Cl)cc1
InChIInChI=1S/C10H9ClN2O/c1-8(13-14-7-6-12)9-2-4-10(11)5-3-9/h2-5,13H,1,7H2
InChIKeyNEQLPSGFKZVLJH-UHFFFAOYSA-N
XLogP2.36
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Amino-3-(4-chlorophenyl)prop-2-enenitrile
CID 1484888
(Z)-3-Amino-3-(4-chlorophenyl)acrylonitrile
CID 5524789
[(4-Chlorophenyl)methyl](methoxy)amine
CID 12482322
1-(3-chloro-4-fluorophenyl)-N-methoxyethenamine
CID 57049882
1-(4-chloro-3-fluorophenyl)-N-methoxyethenamine
CID 57065375
1-(2-chloro-4-fluorophenyl)-N-methoxyethenamine
CID 57087609
(E)-3-amino-3-(4-chloro-3-fluorophenyl)prop-2-enenitrile
CID 58084435
3-Amino-3-(4-chloro-3-fluorophenyl)prop-2-enenitrile
CID 66725318
1-(4-chloro-3-fluorophenyl)-N-(1-methylcyclopropyl)oxyethenamine
CID 89143257
1-(4-chloro-3-fluorophenyl)-N-ethoxymethanamine
CID 82710193
1-(4-chlorophenyl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82711587
(E)-3-amino-3-(4-chloro-2-fluorophenyl)prop-2-enenitrile
CID 104011824

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)ethenylamino]oxyacetonitrile?
The IUPAC name of 2-[1-(4-chlorophenyl)ethenylamino]oxyacetonitrile (CID 57109794) is 2-[1-(4-chlorophenyl)ethenylamino]oxyacetonitrile.
What is the SMILES notation for 2-[1-(4-chlorophenyl)ethenylamino]oxyacetonitrile?
The canonical SMILES for 2-[1-(4-chlorophenyl)ethenylamino]oxyacetonitrile is C=C(NOCC#N)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)ethenylamino]oxyacetonitrile?
The InChIKey is NEQLPSGFKZVLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c1-8(13-14-7-6-12)9-2-4-10(11)5-3-9/h2-5,13H,1,7H2.
What are the key properties of 2-[1-(4-chlorophenyl)ethenylamino]oxyacetonitrile?
2-[1-(4-chlorophenyl)ethenylamino]oxyacetonitrile has a molecular weight of 208.65 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)ethenylamino]oxyacetonitrile is sourced from PubChem (CID 57109794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).