(2-hydrazinyl-5-methylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone

C13H19N3O2 — CID 103358333

IUPAC(2-hydrazinyl-5-methylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
SMILESCc1ccc(NN)c(C(=O)N2CCC(C)(O)C2)c1
InChIInChI=1S/C13H19N3O2/c1-9-3-4-11(15-14)10(7-9)12(17)16-6-5-13(2,18)8-16/h3-4,7,15,18H,5-6,8,14H2,1-2H3
InChIKeyKEVHUYFWXIQERU-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.88
Rot. Bonds2

About (2-hydrazinyl-5-methylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone

(2-hydrazinyl-5-methylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone (PubChem CID 103358333) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2-hydrazinyl-5-methylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-hydrazinyl-5-methylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
PubChem CID103358333
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(2-hydrazinyl-5-methylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
SMILESCc1ccc(NN)c(C(=O)N2CCC(C)(O)C2)c1
InChIInChI=1S/C13H19N3O2/c1-9-3-4-11(15-14)10(7-9)12(17)16-6-5-13(2,18)8-16/h3-4,7,15,18H,5-6,8,14H2,1-2H3
InChIKeyKEVHUYFWXIQERU-UHFFFAOYSA-N
XLogP0.88
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2-hydrazinyl-5-methylphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107408587
4-(2-hydrazinyl-5-methylbenzoyl)piperazine-2,6-dione
CID 66062632
(2-fluoro-4-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 70215265
(3,5-dimethylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 113249178
(4-hydrazinyl-6-methyl-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81249021
(4-fluoro-2-methylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103820490
(4-hydrazinylquinolin-2-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103358352
(4-amino-2-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103354971
(5-amino-2-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103355036
(2-bromo-5-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 81112363
(3-bromo-2-methylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103727013
(3,3-dimethylpyrrolidin-1-yl)-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone
CID 81249569

Frequently Asked Questions

What is the IUPAC name of (2-hydrazinyl-5-methylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-hydrazinyl-5-methylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone (CID 103358333) is (2-hydrazinyl-5-methylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-hydrazinyl-5-methylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-hydrazinyl-5-methylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone is Cc1ccc(NN)c(C(=O)N2CCC(C)(O)C2)c1.
What is the InChIKey of (2-hydrazinyl-5-methylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The InChIKey is KEVHUYFWXIQERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-3-4-11(15-14)10(7-9)12(17)16-6-5-13(2,18)8-16/h3-4,7,15,18H,5-6,8,14H2,1-2H3.
What are the key properties of (2-hydrazinyl-5-methylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
(2-hydrazinyl-5-methylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone has a molecular weight of 249.31 g/mol, XLogP of 0.88, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydrazinyl-5-methylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 103358333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).