1-[(E)-2-chloro-2-phenylethenyl]imidazole;nitric acid

C11H10ClN3O3 — CID 88621940

IUPAC1-[(E)-2-chloro-2-phenylethenyl]imidazole;nitric acid
SMILESCl/C(=C/n1ccnc1)c1ccccc1.O=[N+]([O-])O
InChIInChI=1S/C11H9ClN2.HNO3/c12-11(8-14-7-6-13-9-14)10-4-2-1-3-5-10;2-1(3)4/h1-9H;(H,2,3,4)/b11-8+;
InChIKeyYOZGPTMQKUNDJH-YGCVIUNWSA-N
MW267.67 g/mol
LogP2.73
Rot. Bonds2

About 1-[(E)-2-chloro-2-phenylethenyl]imidazole;nitric acid

1-[(E)-2-chloro-2-phenylethenyl]imidazole;nitric acid (PubChem CID 88621940) has the molecular formula C11H10ClN3O3 and a molecular weight of 267.67 g/mol. Its IUPAC name is 1-[(E)-2-chloro-2-phenylethenyl]imidazole;nitric acid.

Molecular Properties

Compound Name1-[(E)-2-chloro-2-phenylethenyl]imidazole;nitric acid
PubChem CID88621940
Molecular FormulaC11H10ClN3O3
Molecular Weight267.67 g/mol
Exact Mass267.04
IUPAC Name1-[(E)-2-chloro-2-phenylethenyl]imidazole;nitric acid
SMILESCl/C(=C/n1ccnc1)c1ccccc1.O=[N+]([O-])O
InChIInChI=1S/C11H9ClN2.HNO3/c12-11(8-14-7-6-13-9-14)10-4-2-1-3-5-10;2-1(3)4/h1-9H;(H,2,3,4)/b11-8+;
InChIKeyYOZGPTMQKUNDJH-YGCVIUNWSA-N
XLogP2.73
TPSA81.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.67
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-chloro-2-phenylethenyl]imidazole;nitric acid?
The IUPAC name of 1-[(E)-2-chloro-2-phenylethenyl]imidazole;nitric acid (CID 88621940) is 1-[(E)-2-chloro-2-phenylethenyl]imidazole;nitric acid.
What is the SMILES notation for 1-[(E)-2-chloro-2-phenylethenyl]imidazole;nitric acid?
The canonical SMILES for 1-[(E)-2-chloro-2-phenylethenyl]imidazole;nitric acid is Cl/C(=C/n1ccnc1)c1ccccc1.O=[N+]([O-])O.
What is the InChIKey of 1-[(E)-2-chloro-2-phenylethenyl]imidazole;nitric acid?
The InChIKey is YOZGPTMQKUNDJH-YGCVIUNWSA-N. The full InChI is InChI=1S/C11H9ClN2.HNO3/c12-11(8-14-7-6-13-9-14)10-4-2-1-3-5-10;2-1(3)4/h1-9H;(H,2,3,4)/b11-8+;.
What are the key properties of 1-[(E)-2-chloro-2-phenylethenyl]imidazole;nitric acid?
1-[(E)-2-chloro-2-phenylethenyl]imidazole;nitric acid has a molecular weight of 267.67 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-chloro-2-phenylethenyl]imidazole;nitric acid is sourced from PubChem (CID 88621940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).