(2,2-dimethylpyrrolidin-1-yl)-(2-hydrazinylphenyl)methanone

C13H19N3O — CID 63218887

IUPAC(2,2-dimethylpyrrolidin-1-yl)-(2-hydrazinylphenyl)methanone
SMILESCC1(C)CCCN1C(=O)c1ccccc1NN
InChIInChI=1S/C13H19N3O/c1-13(2)8-5-9-16(13)12(17)10-6-3-4-7-11(10)15-14/h3-4,6-7,15H,5,8-9,14H2,1-2H3
InChIKeyDBACDJDVCRGHOY-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.99
Rot. Bonds2

About (2,2-dimethylpyrrolidin-1-yl)-(2-hydrazinylphenyl)methanone

(2,2-dimethylpyrrolidin-1-yl)-(2-hydrazinylphenyl)methanone (PubChem CID 63218887) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is (2,2-dimethylpyrrolidin-1-yl)-(2-hydrazinylphenyl)methanone.

Molecular Properties

Compound Name(2,2-dimethylpyrrolidin-1-yl)-(2-hydrazinylphenyl)methanone
PubChem CID63218887
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name(2,2-dimethylpyrrolidin-1-yl)-(2-hydrazinylphenyl)methanone
SMILESCC1(C)CCCN1C(=O)c1ccccc1NN
InChIInChI=1S/C13H19N3O/c1-13(2)8-5-9-16(13)12(17)10-6-3-4-7-11(10)15-14/h3-4,6-7,15H,5,8-9,14H2,1-2H3
InChIKeyDBACDJDVCRGHOY-UHFFFAOYSA-N
XLogP1.99
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 (2,2-dimethylpyrrolidin-1-yl)-(2-hydrazinylphenyl)methanone?
The IUPAC name of (2,2-dimethylpyrrolidin-1-yl)-(2-hydrazinylphenyl)methanone (CID 63218887) is (2,2-dimethylpyrrolidin-1-yl)-(2-hydrazinylphenyl)methanone.
What is the SMILES notation for (2,2-dimethylpyrrolidin-1-yl)-(2-hydrazinylphenyl)methanone?
The canonical SMILES for (2,2-dimethylpyrrolidin-1-yl)-(2-hydrazinylphenyl)methanone is CC1(C)CCCN1C(=O)c1ccccc1NN.
What is the InChIKey of (2,2-dimethylpyrrolidin-1-yl)-(2-hydrazinylphenyl)methanone?
The InChIKey is DBACDJDVCRGHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-13(2)8-5-9-16(13)12(17)10-6-3-4-7-11(10)15-14/h3-4,6-7,15H,5,8-9,14H2,1-2H3.
What are the key properties of (2,2-dimethylpyrrolidin-1-yl)-(2-hydrazinylphenyl)methanone?
(2,2-dimethylpyrrolidin-1-yl)-(2-hydrazinylphenyl)methanone has a molecular weight of 233.31 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylpyrrolidin-1-yl)-(2-hydrazinylphenyl)methanone is sourced from PubChem (CID 63218887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).