2-[2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide

C16H25N3O — CID 115465534

IUPAC2-[2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide
SMILESCC(C)C1CCCN1Cc1ccccc1CC(=O)NN
InChIInChI=1S/C16H25N3O/c1-12(2)15-8-5-9-19(15)11-14-7-4-3-6-13(14)10-16(20)18-17/h3-4,6-7,12,15H,5,8-11,17H2,1-2H3,(H,18,20)
InChIKeyBMVUOXGJGNCXQL-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.84
Rot. Bonds5

About 2-[2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide

2-[2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide (PubChem CID 115465534) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide
PubChem CID115465534
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-[2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide
SMILESCC(C)C1CCCN1Cc1ccccc1CC(=O)NN
InChIInChI=1S/C16H25N3O/c1-12(2)15-8-5-9-19(15)11-14-7-4-3-6-13(14)10-16(20)18-17/h3-4,6-7,12,15H,5,8-11,17H2,1-2H3,(H,18,20)
InChIKeyBMVUOXGJGNCXQL-UHFFFAOYSA-N
XLogP1.84
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.84
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-methylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide
CID 113314918
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-oxopyrrolidin-1-yl)methyl]phenyl]acetohydrazide
CID 113314919
[2-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]phenyl]methanamine
CID 81322590
2-[2-(piperazin-1-ylmethyl)phenyl]acetohydrazide
CID 115465423
2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]acetohydrazide
CID 115465539
2-[2-[(3,3-dimethylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide
CID 115465549
(2R)-2-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide;dihydrochloride
CID 119845332
4-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide;dihydrochloride
CID 120564537
2-[2-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]phenyl]acetic acid
CID 115463132

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide?
The IUPAC name of 2-[2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide (CID 115465534) is 2-[2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide is CC(C)C1CCCN1Cc1ccccc1CC(=O)NN.
What is the InChIKey of 2-[2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide?
The InChIKey is BMVUOXGJGNCXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12(2)15-8-5-9-19(15)11-14-7-4-3-6-13(14)10-16(20)18-17/h3-4,6-7,12,15H,5,8-11,17H2,1-2H3,(H,18,20).
What are the key properties of 2-[2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide?
2-[2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide has a molecular weight of 275.40 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide is sourced from PubChem (CID 115465534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).