2-hydroxyimino-1-(1H-pyrrol-2-yl)propan-1-one

C7H8N2O2 — CID 130953558

IUPAC2-hydroxyimino-1-(1H-pyrrol-2-yl)propan-1-one
SMILESCC(=NO)C(=O)c1ccc[nH]1
InChIInChI=1S/C7H8N2O2/c1-5(9-11)7(10)6-3-2-4-8-6/h2-4,8,11H,1H3
InChIKeyWORSILSUJWAWRJ-UHFFFAOYSA-N
MW152.15 g/mol
LogP1.05
Rot. Bonds2

About 2-hydroxyimino-1-(1H-pyrrol-2-yl)propan-1-one

2-hydroxyimino-1-(1H-pyrrol-2-yl)propan-1-one (PubChem CID 130953558) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 2-hydroxyimino-1-(1H-pyrrol-2-yl)propan-1-one.

Molecular Properties

Compound Name2-hydroxyimino-1-(1H-pyrrol-2-yl)propan-1-one
PubChem CID130953558
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name2-hydroxyimino-1-(1H-pyrrol-2-yl)propan-1-one
SMILESCC(=NO)C(=O)c1ccc[nH]1
InChIInChI=1S/C7H8N2O2/c1-5(9-11)7(10)6-3-2-4-8-6/h2-4,8,11H,1H3
InChIKeyWORSILSUJWAWRJ-UHFFFAOYSA-N
XLogP1.05
TPSA65.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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-hydroxyimino-1-(1H-pyrrol-2-yl)propan-1-one?
The IUPAC name of 2-hydroxyimino-1-(1H-pyrrol-2-yl)propan-1-one (CID 130953558) is 2-hydroxyimino-1-(1H-pyrrol-2-yl)propan-1-one.
What is the SMILES notation for 2-hydroxyimino-1-(1H-pyrrol-2-yl)propan-1-one?
The canonical SMILES for 2-hydroxyimino-1-(1H-pyrrol-2-yl)propan-1-one is CC(=NO)C(=O)c1ccc[nH]1.
What is the InChIKey of 2-hydroxyimino-1-(1H-pyrrol-2-yl)propan-1-one?
The InChIKey is WORSILSUJWAWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-5(9-11)7(10)6-3-2-4-8-6/h2-4,8,11H,1H3.
What are the key properties of 2-hydroxyimino-1-(1H-pyrrol-2-yl)propan-1-one?
2-hydroxyimino-1-(1H-pyrrol-2-yl)propan-1-one has a molecular weight of 152.15 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyimino-1-(1H-pyrrol-2-yl)propan-1-one is sourced from PubChem (CID 130953558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).