[(Z)-2-nitro-3-phenyliminoprop-1-enyl]-phenylazanide

C15H12N3O2- — CID 101205522

IUPAC[(Z)-2-nitro-3-phenyliminoprop-1-enyl]-phenylazanide
SMILESO=[N+]([O-])C(=C\[N-]c1ccccc1)/C=N/c1ccccc1
InChIInChI=1S/C15H12N3O2/c19-18(20)15(11-16-13-7-3-1-4-8-13)12-17-14-9-5-2-6-10-14/h1-12H/q-1/b15-11-,17-12+
InChIKeyAGEVMEQCRZGBPF-AJGWWKNYSA-N
MW266.28 g/mol
LogP4.21
Rot. Bonds5

About [(Z)-2-nitro-3-phenyliminoprop-1-enyl]-phenylazanide

[(Z)-2-nitro-3-phenyliminoprop-1-enyl]-phenylazanide (PubChem CID 101205522) has the molecular formula C15H12N3O2- and a molecular weight of 266.28 g/mol. Its IUPAC name is [(Z)-2-nitro-3-phenyliminoprop-1-enyl]-phenylazanide.

Molecular Properties

Compound Name[(Z)-2-nitro-3-phenyliminoprop-1-enyl]-phenylazanide
PubChem CID101205522
Molecular FormulaC15H12N3O2-
Molecular Weight266.28 g/mol
Exact Mass266.09
IUPAC Name[(Z)-2-nitro-3-phenyliminoprop-1-enyl]-phenylazanide
SMILESO=[N+]([O-])C(=C\[N-]c1ccccc1)/C=N/c1ccccc1
InChIInChI=1S/C15H12N3O2/c19-18(20)15(11-16-13-7-3-1-4-8-13)12-17-14-9-5-2-6-10-14/h1-12H/q-1/b15-11-,17-12+
InChIKeyAGEVMEQCRZGBPF-AJGWWKNYSA-N
XLogP4.21
TPSA69.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'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 [(Z)-2-nitro-3-phenyliminoprop-1-enyl]-phenylazanide?
The IUPAC name of [(Z)-2-nitro-3-phenyliminoprop-1-enyl]-phenylazanide (CID 101205522) is [(Z)-2-nitro-3-phenyliminoprop-1-enyl]-phenylazanide.
What is the SMILES notation for [(Z)-2-nitro-3-phenyliminoprop-1-enyl]-phenylazanide?
The canonical SMILES for [(Z)-2-nitro-3-phenyliminoprop-1-enyl]-phenylazanide is O=[N+]([O-])C(=C\[N-]c1ccccc1)/C=N/c1ccccc1.
What is the InChIKey of [(Z)-2-nitro-3-phenyliminoprop-1-enyl]-phenylazanide?
The InChIKey is AGEVMEQCRZGBPF-AJGWWKNYSA-N. The full InChI is InChI=1S/C15H12N3O2/c19-18(20)15(11-16-13-7-3-1-4-8-13)12-17-14-9-5-2-6-10-14/h1-12H/q-1/b15-11-,17-12+.
What are the key properties of [(Z)-2-nitro-3-phenyliminoprop-1-enyl]-phenylazanide?
[(Z)-2-nitro-3-phenyliminoprop-1-enyl]-phenylazanide has a molecular weight of 266.28 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-nitro-3-phenyliminoprop-1-enyl]-phenylazanide is sourced from PubChem (CID 101205522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).