2-[(3-cyanophenyl)methyl-methylamino]acetohydrazide

C11H14N4O — CID 63585387

IUPAC2-[(3-cyanophenyl)methyl-methylamino]acetohydrazide
SMILESCN(CC(=O)NN)Cc1cccc(C#N)c1
InChIInChI=1S/C11H14N4O/c1-15(8-11(16)14-13)7-10-4-2-3-9(5-10)6-12/h2-5H,7-8,13H2,1H3,(H,14,16)
InChIKeyJIUPYCDAGFGIBI-UHFFFAOYSA-N
MW218.26 g/mol
LogP-0.02
Rot. Bonds4

About 2-[(3-cyanophenyl)methyl-methylamino]acetohydrazide

2-[(3-cyanophenyl)methyl-methylamino]acetohydrazide (PubChem CID 63585387) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-[(3-cyanophenyl)methyl-methylamino]acetohydrazide.

Molecular Properties

Compound Name2-[(3-cyanophenyl)methyl-methylamino]acetohydrazide
PubChem CID63585387
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-[(3-cyanophenyl)methyl-methylamino]acetohydrazide
SMILESCN(CC(=O)NN)Cc1cccc(C#N)c1
InChIInChI=1S/C11H14N4O/c1-15(8-11(16)14-13)7-10-4-2-3-9(5-10)6-12/h2-5H,7-8,13H2,1H3,(H,14,16)
InChIKeyJIUPYCDAGFGIBI-UHFFFAOYSA-N
XLogP-0.02
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(3-cyanophenyl)methyl-methylamino]-N-(2-hydroxyethyl)acetamide
CID 62982745
3-[(3-cyanophenyl)methyl-methylamino]butanehydrazide
CID 63583351
2-[(3-cyanophenyl)methyl-methylamino]-N-(oxan-4-yl)acetamide
CID 63099208
5-[[(3-cyanophenyl)methyl-methylamino]methyl]furan-2-carbohydrazide
CID 63585765
N-(4-chlorophenyl)-2-[(3-cyanophenyl)methyl-methylamino]acetamide;oxalic acid
CID 17401819
(E)-4-[(3-cyanophenyl)methyl-methylamino]-3-methylbut-2-enoic acid
CID 55237302
3-[[methyl-[2-(2-methylphenyl)-2-oxoethyl]amino]methyl]benzonitrile
CID 62981347
3-[[[2-(3-fluorophenyl)-2-oxoethyl]-methylamino]methyl]benzonitrile
CID 62983081
3-[[(3-cyanophenyl)methyl-methylamino]methyl]benzoic acid
CID 62970028
3-[[[2-(3-chlorophenyl)-2-oxoethyl]-methylamino]methyl]benzonitrile
CID 62983254
3-[[[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-methylamino]methyl]benzonitrile
CID 62983079
5-[[(3-cyanophenyl)methyl-methylamino]methyl]oxolane-2-carbohydrazide
CID 63583170

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyanophenyl)methyl-methylamino]acetohydrazide?
The IUPAC name of 2-[(3-cyanophenyl)methyl-methylamino]acetohydrazide (CID 63585387) is 2-[(3-cyanophenyl)methyl-methylamino]acetohydrazide.
What is the SMILES notation for 2-[(3-cyanophenyl)methyl-methylamino]acetohydrazide?
The canonical SMILES for 2-[(3-cyanophenyl)methyl-methylamino]acetohydrazide is CN(CC(=O)NN)Cc1cccc(C#N)c1.
What is the InChIKey of 2-[(3-cyanophenyl)methyl-methylamino]acetohydrazide?
The InChIKey is JIUPYCDAGFGIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-15(8-11(16)14-13)7-10-4-2-3-9(5-10)6-12/h2-5H,7-8,13H2,1H3,(H,14,16).
What are the key properties of 2-[(3-cyanophenyl)methyl-methylamino]acetohydrazide?
2-[(3-cyanophenyl)methyl-methylamino]acetohydrazide has a molecular weight of 218.26 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyanophenyl)methyl-methylamino]acetohydrazide is sourced from PubChem (CID 63585387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).