2-[2-[(3-methylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide

C14H21N3O — CID 113314918

IUPAC2-[2-[(3-methylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide
SMILESCC1CCN(Cc2ccccc2CC(=O)NN)C1
InChIInChI=1S/C14H21N3O/c1-11-6-7-17(9-11)10-13-5-3-2-4-12(13)8-14(18)16-15/h2-5,11H,6-10,15H2,1H3,(H,16,18)
InChIKeyVEXVDGIUUYEWJR-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.06
Rot. Bonds4

About 2-[2-[(3-methylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide

2-[2-[(3-methylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide (PubChem CID 113314918) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[2-[(3-methylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[2-[(3-methylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide
PubChem CID113314918
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-[2-[(3-methylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide
SMILESCC1CCN(Cc2ccccc2CC(=O)NN)C1
InChIInChI=1S/C14H21N3O/c1-11-6-7-17(9-11)10-13-5-3-2-4-12(13)8-14(18)16-15/h2-5,11H,6-10,15H2,1H3,(H,16,18)
InChIKeyVEXVDGIUUYEWJR-UHFFFAOYSA-N
XLogP1.06
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]acetohydrazide
CID 115465501
2-[2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide
CID 115465290
2-[2-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide
CID 115465497
2-[2-[(2-ethylmorpholin-4-yl)methyl]phenyl]acetohydrazide
CID 115465353
2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]acetohydrazide
CID 115465539
2-[2-(piperazin-1-ylmethyl)phenyl]acetohydrazide
CID 115465423
2-[2-[(3,3-dimethylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide
CID 115465549
2-amino-2-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 119845143
2-[2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]phenyl]acetohydrazide
CID 102938197
4-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide
CID 120564544
4-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide;dihydrochloride
CID 120564543
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62438160

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-methylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide?
The IUPAC name of 2-[2-[(3-methylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide (CID 113314918) is 2-[2-[(3-methylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[2-[(3-methylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[2-[(3-methylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide is CC1CCN(Cc2ccccc2CC(=O)NN)C1.
What is the InChIKey of 2-[2-[(3-methylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide?
The InChIKey is VEXVDGIUUYEWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11-6-7-17(9-11)10-13-5-3-2-4-12(13)8-14(18)16-15/h2-5,11H,6-10,15H2,1H3,(H,16,18).
What are the key properties of 2-[2-[(3-methylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide?
2-[2-[(3-methylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide has a molecular weight of 247.34 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-methylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide is sourced from PubChem (CID 113314918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).