4-imino-1,5-dimethyl-2-phenylpyrazolidin-3-one

C11H13N3O — CID 146678458

IUPAC4-imino-1,5-dimethyl-2-phenylpyrazolidin-3-one
SMILES[H]/N=C1/C(=O)N(c2ccccc2)N(C)C1C
InChIInChI=1S/C11H13N3O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-8,12H,1-2H3/b12-10+
InChIKeyNALBNRYDQPVIQB-ZRDIBKRKSA-N
MW203.25 g/mol
LogP1.29
Rot. Bonds1

About 4-imino-1,5-dimethyl-2-phenylpyrazolidin-3-one

4-imino-1,5-dimethyl-2-phenylpyrazolidin-3-one (PubChem CID 146678458) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 4-imino-1,5-dimethyl-2-phenylpyrazolidin-3-one.

Molecular Properties

Compound Name4-imino-1,5-dimethyl-2-phenylpyrazolidin-3-one
PubChem CID146678458
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name4-imino-1,5-dimethyl-2-phenylpyrazolidin-3-one
SMILES[H]/N=C1/C(=O)N(c2ccccc2)N(C)C1C
InChIInChI=1S/C11H13N3O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-8,12H,1-2H3/b12-10+
InChIKeyNALBNRYDQPVIQB-ZRDIBKRKSA-N
XLogP1.29
TPSA47.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-imino-1,5-dimethyl-2-phenylpyrazolidin-3-one?
The IUPAC name of 4-imino-1,5-dimethyl-2-phenylpyrazolidin-3-one (CID 146678458) is 4-imino-1,5-dimethyl-2-phenylpyrazolidin-3-one.
What is the SMILES notation for 4-imino-1,5-dimethyl-2-phenylpyrazolidin-3-one?
The canonical SMILES for 4-imino-1,5-dimethyl-2-phenylpyrazolidin-3-one is [H]/N=C1/C(=O)N(c2ccccc2)N(C)C1C.
What is the InChIKey of 4-imino-1,5-dimethyl-2-phenylpyrazolidin-3-one?
The InChIKey is NALBNRYDQPVIQB-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H13N3O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-8,12H,1-2H3/b12-10+.
What are the key properties of 4-imino-1,5-dimethyl-2-phenylpyrazolidin-3-one?
4-imino-1,5-dimethyl-2-phenylpyrazolidin-3-one has a molecular weight of 203.25 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-1,5-dimethyl-2-phenylpyrazolidin-3-one is sourced from PubChem (CID 146678458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).