(4R)-5-nitro-4-phenylpentan-2-one

C11H13NO3 — CID 6991252

IUPAC(4R)-5-nitro-4-phenylpentan-2-one
SMILESCC(=O)C[C@@H](C[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C11H13NO3/c1-9(13)7-11(8-12(14)15)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3/t11-/m0/s1
InChIKeyHDACXQXSTHNYRG-NSHDSACASA-N
MW207.23 g/mol
LogP2.03
Rot. Bonds5

About (4R)-5-nitro-4-phenylpentan-2-one

(4R)-5-nitro-4-phenylpentan-2-one (PubChem CID 6991252) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is (4R)-5-nitro-4-phenylpentan-2-one.

Molecular Properties

Compound Name(4R)-5-nitro-4-phenylpentan-2-one
PubChem CID6991252
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name(4R)-5-nitro-4-phenylpentan-2-one
SMILESCC(=O)C[C@@H](C[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C11H13NO3/c1-9(13)7-11(8-12(14)15)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3/t11-/m0/s1
InChIKeyHDACXQXSTHNYRG-NSHDSACASA-N
XLogP2.03
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (4R)-5-nitro-4-phenylpentan-2-one?
The IUPAC name of (4R)-5-nitro-4-phenylpentan-2-one (CID 6991252) is (4R)-5-nitro-4-phenylpentan-2-one.
What is the SMILES notation for (4R)-5-nitro-4-phenylpentan-2-one?
The canonical SMILES for (4R)-5-nitro-4-phenylpentan-2-one is CC(=O)C[C@@H](C[N+](=O)[O-])c1ccccc1.
What is the InChIKey of (4R)-5-nitro-4-phenylpentan-2-one?
The InChIKey is HDACXQXSTHNYRG-NSHDSACASA-N. The full InChI is InChI=1S/C11H13NO3/c1-9(13)7-11(8-12(14)15)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3/t11-/m0/s1.
What are the key properties of (4R)-5-nitro-4-phenylpentan-2-one?
(4R)-5-nitro-4-phenylpentan-2-one has a molecular weight of 207.23 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-nitro-4-phenylpentan-2-one is sourced from PubChem (CID 6991252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).