2-nitro-1,3-diphenylprop-2-en-1-one

C15H11NO3 — CID 4683026

IUPAC2-nitro-1,3-diphenylprop-2-en-1-one
SMILESO=C(C(=Cc1ccccc1)[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C15H11NO3/c17-15(13-9-5-2-6-10-13)14(16(18)19)11-12-7-3-1-4-8-12/h1-11H
InChIKeyYUFZFDCSLAUIPS-UHFFFAOYSA-N
MW253.26 g/mol
LogP3.19
Rot. Bonds4

About 2-nitro-1,3-diphenylprop-2-en-1-one

2-nitro-1,3-diphenylprop-2-en-1-one (PubChem CID 4683026) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-nitro-1,3-diphenylprop-2-en-1-one.

Molecular Properties

Compound Name2-nitro-1,3-diphenylprop-2-en-1-one
PubChem CID4683026
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name2-nitro-1,3-diphenylprop-2-en-1-one
SMILESO=C(C(=Cc1ccccc1)[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C15H11NO3/c17-15(13-9-5-2-6-10-13)14(16(18)19)11-12-7-3-1-4-8-12/h1-11H
InChIKeyYUFZFDCSLAUIPS-UHFFFAOYSA-N
XLogP3.19
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_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 2-nitro-1,3-diphenylprop-2-en-1-one?
The IUPAC name of 2-nitro-1,3-diphenylprop-2-en-1-one (CID 4683026) is 2-nitro-1,3-diphenylprop-2-en-1-one.
What is the SMILES notation for 2-nitro-1,3-diphenylprop-2-en-1-one?
The canonical SMILES for 2-nitro-1,3-diphenylprop-2-en-1-one is O=C(C(=Cc1ccccc1)[N+](=O)[O-])c1ccccc1.
What is the InChIKey of 2-nitro-1,3-diphenylprop-2-en-1-one?
The InChIKey is YUFZFDCSLAUIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c17-15(13-9-5-2-6-10-13)14(16(18)19)11-12-7-3-1-4-8-12/h1-11H.
What are the key properties of 2-nitro-1,3-diphenylprop-2-en-1-one?
2-nitro-1,3-diphenylprop-2-en-1-one has a molecular weight of 253.26 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-1,3-diphenylprop-2-en-1-one is sourced from PubChem (CID 4683026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).