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

C15H23N3O — CID 115465549

IUPAC2-[2-[(3,3-dimethylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide
SMILESCC1(C)CCN(Cc2ccccc2CC(=O)NN)C1
InChIInChI=1S/C15H23N3O/c1-15(2)7-8-18(11-15)10-13-6-4-3-5-12(13)9-14(19)17-16/h3-6H,7-11,16H2,1-2H3,(H,17,19)
InChIKeyBKXAFMOBDGYMAL-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.45
Rot. Bonds4

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

2-[2-[(3,3-dimethylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide (PubChem CID 115465549) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[2-[(3,3-dimethylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[2-[(3,3-dimethylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide
PubChem CID115465549
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-[2-[(3,3-dimethylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide
SMILESCC1(C)CCN(Cc2ccccc2CC(=O)NN)C1
InChIInChI=1S/C15H23N3O/c1-15(2)7-8-18(11-15)10-13-6-4-3-5-12(13)9-14(19)17-16/h3-6H,7-11,16H2,1-2H3,(H,17,19)
InChIKeyBKXAFMOBDGYMAL-UHFFFAOYSA-N
XLogP1.45
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.45
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-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]acetic acid
CID 113314657
2-[(4,4-dimethylpiperidin-1-yl)methyl]benzohydrazide
CID 63573428
2-[2-(piperazin-1-ylmethyl)phenyl]acetohydrazide
CID 115465423
2-[2-[(3-methylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide
CID 113314918
2-[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]acetohydrazide
CID 115465501
N-[[2-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 55155178
2-[2-[(2-ethylmorpholin-4-yl)methyl]phenyl]acetohydrazide
CID 115465353
2-[(3,3-dimethylpyrrolidin-1-yl)methyl]-6-methylphenol
CID 112553679
1-[[2-(aminomethyl)phenyl]methyl]-3-methylpyrrolidine-3-carboxamide
CID 114081807
2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]acetohydrazide
CID 115465539
2-[(4,4-dimethylpiperidin-1-yl)methyl]phenol
CID 82979989
2-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetohydrazide
CID 113314919

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,3-dimethylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide?
The IUPAC name of 2-[2-[(3,3-dimethylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide (CID 115465549) is 2-[2-[(3,3-dimethylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[2-[(3,3-dimethylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[2-[(3,3-dimethylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide is CC1(C)CCN(Cc2ccccc2CC(=O)NN)C1.
What is the InChIKey of 2-[2-[(3,3-dimethylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide?
The InChIKey is BKXAFMOBDGYMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-15(2)7-8-18(11-15)10-13-6-4-3-5-12(13)9-14(19)17-16/h3-6H,7-11,16H2,1-2H3,(H,17,19).
What are the key properties of 2-[2-[(3,3-dimethylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide?
2-[2-[(3,3-dimethylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide has a molecular weight of 261.37 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,3-dimethylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide is sourced from PubChem (CID 115465549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).