2-[N-(2-cyanoethyl)anilino]acetohydrazide

C11H14N4O — CID 63570453

IUPAC2-[N-(2-cyanoethyl)anilino]acetohydrazide
SMILESN#CCCN(CC(=O)NN)c1ccccc1
InChIInChI=1S/C11H14N4O/c12-7-4-8-15(9-11(16)14-13)10-5-2-1-3-6-10/h1-3,5-6H,4,8-9,13H2,(H,14,16)
InChIKeyVBUVKAVMQHFVOY-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.40
Rot. Bonds5

About 2-[N-(2-cyanoethyl)anilino]acetohydrazide

2-[N-(2-cyanoethyl)anilino]acetohydrazide (PubChem CID 63570453) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-[N-(2-cyanoethyl)anilino]acetohydrazide.

Molecular Properties

Compound Name2-[N-(2-cyanoethyl)anilino]acetohydrazide
PubChem CID63570453
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-[N-(2-cyanoethyl)anilino]acetohydrazide
SMILESN#CCCN(CC(=O)NN)c1ccccc1
InChIInChI=1S/C11H14N4O/c12-7-4-8-15(9-11(16)14-13)10-5-2-1-3-6-10/h1-3,5-6H,4,8-9,13H2,(H,14,16)
InChIKeyVBUVKAVMQHFVOY-UHFFFAOYSA-N
XLogP0.40
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.40
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

N-carbamoyl-2-[N-(2-cyanoethyl)anilino]acetamide
CID 24692153
5-[N-(2-cyanoethyl)anilino]pentanehydrazide
CID 63570456
N-(4-aminophenyl)-2-[N-(2-cyanoethyl)anilino]acetamide
CID 43824011
2-[N-(2-cyanoethyl)anilino]-N-(cyclopropylmethyl)acetamide
CID 24703101
3-(N-[2-(2-cyanoethylamino)-2-oxoethyl]anilino)propanoic acid
CID 60839580
3-(N-[2-(2-bromophenyl)-2-oxoethyl]anilino)propanenitrile
CID 60679700
3-(N-[2-(4-methylphenyl)-2-oxoethyl]anilino)propanenitrile
CID 62050959
2-[N-(4-cyanobutyl)anilino]acetic acid
CID 54925845
3-(N-[2-(5-bromothiophen-2-yl)-2-oxoethyl]anilino)propanenitrile
CID 60679689
N-(2-cyanoethyl)-3-(N-ethylanilino)-N-methylpropanamide
CID 43288757
3-[[N-(2-cyanoethyl)anilino]methyl]furan-2-carboxylic acid
CID 43153212
3-[N-(3-oxopropyl)anilino]propanenitrile
CID 63040161

Frequently Asked Questions

What is the IUPAC name of 2-[N-(2-cyanoethyl)anilino]acetohydrazide?
The IUPAC name of 2-[N-(2-cyanoethyl)anilino]acetohydrazide (CID 63570453) is 2-[N-(2-cyanoethyl)anilino]acetohydrazide.
What is the SMILES notation for 2-[N-(2-cyanoethyl)anilino]acetohydrazide?
The canonical SMILES for 2-[N-(2-cyanoethyl)anilino]acetohydrazide is N#CCCN(CC(=O)NN)c1ccccc1.
What is the InChIKey of 2-[N-(2-cyanoethyl)anilino]acetohydrazide?
The InChIKey is VBUVKAVMQHFVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c12-7-4-8-15(9-11(16)14-13)10-5-2-1-3-6-10/h1-3,5-6H,4,8-9,13H2,(H,14,16).
What are the key properties of 2-[N-(2-cyanoethyl)anilino]acetohydrazide?
2-[N-(2-cyanoethyl)anilino]acetohydrazide has a molecular weight of 218.26 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(2-cyanoethyl)anilino]acetohydrazide is sourced from PubChem (CID 63570453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).