(2-hydrazinylphenyl)-(3-methylpyrrolidin-1-yl)methanone

C12H17N3O — CID 62235507

IUPAC(2-hydrazinylphenyl)-(3-methylpyrrolidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccccc2NN)C1
InChIInChI=1S/C12H17N3O/c1-9-6-7-15(8-9)12(16)10-4-2-3-5-11(10)14-13/h2-5,9,14H,6-8,13H2,1H3
InChIKeyRUMYRBSWNDIZAW-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.45
Rot. Bonds2

About (2-hydrazinylphenyl)-(3-methylpyrrolidin-1-yl)methanone

(2-hydrazinylphenyl)-(3-methylpyrrolidin-1-yl)methanone (PubChem CID 62235507) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is (2-hydrazinylphenyl)-(3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-hydrazinylphenyl)-(3-methylpyrrolidin-1-yl)methanone
PubChem CID62235507
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name(2-hydrazinylphenyl)-(3-methylpyrrolidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccccc2NN)C1
InChIInChI=1S/C12H17N3O/c1-9-6-7-15(8-9)12(16)10-4-2-3-5-11(10)14-13/h2-5,9,14H,6-8,13H2,1H3
InChIKeyRUMYRBSWNDIZAW-UHFFFAOYSA-N
XLogP1.45
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.45
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'}

Analyze (2-hydrazinylphenyl)-(3-methylpyrrolidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-methylpyrrolidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone
CID 63108073
[4-(dimethylamino)piperidin-1-yl]-(2-hydrazinylphenyl)methanone
CID 62243252
[2-(4-methylpiperidine-1-carbonyl)phenyl]thiourea
CID 169356775
(2-hydrazinylphenyl)-(4-propylpiperidin-1-yl)methanone
CID 62243173
(4-hydrazinylquinolin-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 63375065
3,4-dichloro-N-[2-(3-methylpyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 86878824
N-[2-(4-methylpiperidine-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 4939416
(2-hydrazinylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 62249835
(2-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone
CID 43176525
(2-chloro-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61226414
(6-hydrazinyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62237527
2-[2-(4-methylpiperidine-1-carbonyl)anilino]ethene-1,1,2-tricarbonitrile
CID 168607156

Frequently Asked Questions

What is the IUPAC name of (2-hydrazinylphenyl)-(3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-hydrazinylphenyl)-(3-methylpyrrolidin-1-yl)methanone (CID 62235507) is (2-hydrazinylphenyl)-(3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-hydrazinylphenyl)-(3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-hydrazinylphenyl)-(3-methylpyrrolidin-1-yl)methanone is CC1CCN(C(=O)c2ccccc2NN)C1.
What is the InChIKey of (2-hydrazinylphenyl)-(3-methylpyrrolidin-1-yl)methanone?
The InChIKey is RUMYRBSWNDIZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9-6-7-15(8-9)12(16)10-4-2-3-5-11(10)14-13/h2-5,9,14H,6-8,13H2,1H3.
What are the key properties of (2-hydrazinylphenyl)-(3-methylpyrrolidin-1-yl)methanone?
(2-hydrazinylphenyl)-(3-methylpyrrolidin-1-yl)methanone has a molecular weight of 219.29 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydrazinylphenyl)-(3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 62235507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).