(2Z)-2-(methylhydrazinylidene)-1-phenyl-3-pyrrolidin-1-ylpropan-1-one

C14H19N3O — CID 101262047

IUPAC(2Z)-2-(methylhydrazinylidene)-1-phenyl-3-pyrrolidin-1-ylpropan-1-one
SMILESCN/N=C(/CN1CCCC1)C(=O)c1ccccc1
InChIInChI=1S/C14H19N3O/c1-15-16-13(11-17-9-5-6-10-17)14(18)12-7-3-2-4-8-12/h2-4,7-8,15H,5-6,9-11H2,1H3/b16-13-
InChIKeyJVRLVAHBEOSPER-SSZFMOIBSA-N
MW245.33 g/mol
LogP1.54
Rot. Bonds5

About (2Z)-2-(methylhydrazinylidene)-1-phenyl-3-pyrrolidin-1-ylpropan-1-one

(2Z)-2-(methylhydrazinylidene)-1-phenyl-3-pyrrolidin-1-ylpropan-1-one (PubChem CID 101262047) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is (2Z)-2-(methylhydrazinylidene)-1-phenyl-3-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2Z)-2-(methylhydrazinylidene)-1-phenyl-3-pyrrolidin-1-ylpropan-1-one
PubChem CID101262047
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name(2Z)-2-(methylhydrazinylidene)-1-phenyl-3-pyrrolidin-1-ylpropan-1-one
SMILESCN/N=C(/CN1CCCC1)C(=O)c1ccccc1
InChIInChI=1S/C14H19N3O/c1-15-16-13(11-17-9-5-6-10-17)14(18)12-7-3-2-4-8-12/h2-4,7-8,15H,5-6,9-11H2,1H3/b16-13-
InChIKeyJVRLVAHBEOSPER-SSZFMOIBSA-N
XLogP1.54
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_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 (2Z)-2-(methylhydrazinylidene)-1-phenyl-3-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of (2Z)-2-(methylhydrazinylidene)-1-phenyl-3-pyrrolidin-1-ylpropan-1-one (CID 101262047) is (2Z)-2-(methylhydrazinylidene)-1-phenyl-3-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for (2Z)-2-(methylhydrazinylidene)-1-phenyl-3-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for (2Z)-2-(methylhydrazinylidene)-1-phenyl-3-pyrrolidin-1-ylpropan-1-one is CN/N=C(/CN1CCCC1)C(=O)c1ccccc1.
What is the InChIKey of (2Z)-2-(methylhydrazinylidene)-1-phenyl-3-pyrrolidin-1-ylpropan-1-one?
The InChIKey is JVRLVAHBEOSPER-SSZFMOIBSA-N. The full InChI is InChI=1S/C14H19N3O/c1-15-16-13(11-17-9-5-6-10-17)14(18)12-7-3-2-4-8-12/h2-4,7-8,15H,5-6,9-11H2,1H3/b16-13-.
What are the key properties of (2Z)-2-(methylhydrazinylidene)-1-phenyl-3-pyrrolidin-1-ylpropan-1-one?
(2Z)-2-(methylhydrazinylidene)-1-phenyl-3-pyrrolidin-1-ylpropan-1-one has a molecular weight of 245.33 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(methylhydrazinylidene)-1-phenyl-3-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 101262047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).