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

C14H21N3O — CID 55214615

IUPAC3-[(2,2-dimethylpyrrolidin-1-yl)methyl]benzohydrazide
SMILESCC1(C)CCCN1Cc1cccc(C(=O)NN)c1
InChIInChI=1S/C14H21N3O/c1-14(2)7-4-8-17(14)10-11-5-3-6-12(9-11)13(18)16-15/h3,5-6,9H,4,7-8,10,15H2,1-2H3,(H,16,18)
InChIKeyAEYJYOGWDGGYOQ-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.66
Rot. Bonds3

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

3-[(2,2-dimethylpyrrolidin-1-yl)methyl]benzohydrazide (PubChem CID 55214615) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-[(2,2-dimethylpyrrolidin-1-yl)methyl]benzohydrazide.

Molecular Properties

Compound Name3-[(2,2-dimethylpyrrolidin-1-yl)methyl]benzohydrazide
PubChem CID55214615
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-[(2,2-dimethylpyrrolidin-1-yl)methyl]benzohydrazide
SMILESCC1(C)CCCN1Cc1cccc(C(=O)NN)c1
InChIInChI=1S/C14H21N3O/c1-14(2)7-4-8-17(14)10-11-5-3-6-12(9-11)13(18)16-15/h3,5-6,9H,4,7-8,10,15H2,1-2H3,(H,16,18)
InChIKeyAEYJYOGWDGGYOQ-UHFFFAOYSA-N
XLogP1.66
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.66
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

3-[(2,2-dimethylpyrrolidin-1-yl)methyl]benzoic acid
CID 63219968
3-[(4-hydroxy-4-methylazepan-1-yl)methyl]benzohydrazide
CID 107408896
3-bromo-4-[(2,2-dimethylpyrrolidin-1-yl)methyl]benzohydrazide
CID 102774583
3-[(2,5-dimethylpyrrol-1-yl)methyl]benzohydrazide
CID 100793902
1-benzyl-2,2-dimethylpyrrolidine
CID 10954329
4-[(2,2-dimethylpyrrolidin-1-yl)methyl]benzoic acid
CID 55220247
3-(5-azaspiro[3.4]octan-5-ylmethyl)benzoic acid
CID 122033555
3-[(4-oxopiperidin-1-yl)methyl]benzohydrazide
CID 63573220
3-(pyrrol-1-ylmethyl)benzohydrazide
CID 100793873
3-[(3-methylpiperidin-1-yl)methyl]benzohydrazide
CID 63568661
3-[(4-ethylpiperidin-1-yl)methyl]benzohydrazide
CID 63577694
3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]benzohydrazide
CID 63619720

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethylpyrrolidin-1-yl)methyl]benzohydrazide?
The IUPAC name of 3-[(2,2-dimethylpyrrolidin-1-yl)methyl]benzohydrazide (CID 55214615) is 3-[(2,2-dimethylpyrrolidin-1-yl)methyl]benzohydrazide.
What is the SMILES notation for 3-[(2,2-dimethylpyrrolidin-1-yl)methyl]benzohydrazide?
The canonical SMILES for 3-[(2,2-dimethylpyrrolidin-1-yl)methyl]benzohydrazide is CC1(C)CCCN1Cc1cccc(C(=O)NN)c1.
What is the InChIKey of 3-[(2,2-dimethylpyrrolidin-1-yl)methyl]benzohydrazide?
The InChIKey is AEYJYOGWDGGYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-14(2)7-4-8-17(14)10-11-5-3-6-12(9-11)13(18)16-15/h3,5-6,9H,4,7-8,10,15H2,1-2H3,(H,16,18).
What are the key properties of 3-[(2,2-dimethylpyrrolidin-1-yl)methyl]benzohydrazide?
3-[(2,2-dimethylpyrrolidin-1-yl)methyl]benzohydrazide has a molecular weight of 247.34 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethylpyrrolidin-1-yl)methyl]benzohydrazide is sourced from PubChem (CID 55214615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).