N-[(2E)-2-(methylidenehydrazinylidene)but-3-enyl]propanamide

C8H13N3O — CID 171523312

IUPACN-[(2E)-2-(methylidenehydrazinylidene)but-3-enyl]propanamide
SMILESC=C/C(CNC(=O)CC)=N\N=C
InChIInChI=1S/C8H13N3O/c1-4-7(11-9-3)6-10-8(12)5-2/h4H,1,3,5-6H2,2H3,(H,10,12)/b11-7+
InChIKeyDLNCXXGAJPCFFH-YRNVUSSQSA-N
MW167.21 g/mol
LogP0.76
Rot. Bonds5

About N-[(2E)-2-(methylidenehydrazinylidene)but-3-enyl]propanamide

N-[(2E)-2-(methylidenehydrazinylidene)but-3-enyl]propanamide (PubChem CID 171523312) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N-[(2E)-2-(methylidenehydrazinylidene)but-3-enyl]propanamide.

Molecular Properties

Compound NameN-[(2E)-2-(methylidenehydrazinylidene)but-3-enyl]propanamide
PubChem CID171523312
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN-[(2E)-2-(methylidenehydrazinylidene)but-3-enyl]propanamide
SMILESC=C/C(CNC(=O)CC)=N\N=C
InChIInChI=1S/C8H13N3O/c1-4-7(11-9-3)6-10-8(12)5-2/h4H,1,3,5-6H2,2H3,(H,10,12)/b11-7+
InChIKeyDLNCXXGAJPCFFH-YRNVUSSQSA-N
XLogP0.76
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-(dimethylhydrazinylidene)-N-(2,2,2-trifluoroethyl)but-3-enamide
CID 177229975
(2E)-N-(3,3-difluoropropyl)-2-(dimethylhydrazinylidene)but-3-enamide
CID 177230000
(2E)-2-(diethylhydrazinylidene)-N-methylbut-3-enamide
CID 89057134
2-(but-3-en-2-ylideneamino)-N-propylacetamide
CID 123402459
N-(3-aminopropyl)-2-iminobut-3-enamide
CID 123991360
N-[(Z)-2-methyliminopent-3-enyl]acetamide
CID 124182649
N-(cyclopropylmethyl)-2-methyliminobut-3-enamide
CID 134479764
N-(cyclopropylmethyl)-2-iminobut-3-enamide
CID 134479844
N-butyl-2-ethenyliminobut-3-enamide
CID 142959978
N-(2-iminobut-3-enyl)butanamide;methanimine;molecular hydrogen
CID 144540771
(2E)-2-[ethyl(methyl)hydrazinylidene]-N-methylbut-3-enamide
CID 145062592
N-ethylazete-2-carboxamide
CID 154494778

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-2-(methylidenehydrazinylidene)but-3-enyl]propanamide?
The IUPAC name of N-[(2E)-2-(methylidenehydrazinylidene)but-3-enyl]propanamide (CID 171523312) is N-[(2E)-2-(methylidenehydrazinylidene)but-3-enyl]propanamide.
What is the SMILES notation for N-[(2E)-2-(methylidenehydrazinylidene)but-3-enyl]propanamide?
The canonical SMILES for N-[(2E)-2-(methylidenehydrazinylidene)but-3-enyl]propanamide is C=C/C(CNC(=O)CC)=N\N=C.
What is the InChIKey of N-[(2E)-2-(methylidenehydrazinylidene)but-3-enyl]propanamide?
The InChIKey is DLNCXXGAJPCFFH-YRNVUSSQSA-N. The full InChI is InChI=1S/C8H13N3O/c1-4-7(11-9-3)6-10-8(12)5-2/h4H,1,3,5-6H2,2H3,(H,10,12)/b11-7+.
What are the key properties of N-[(2E)-2-(methylidenehydrazinylidene)but-3-enyl]propanamide?
N-[(2E)-2-(methylidenehydrazinylidene)but-3-enyl]propanamide has a molecular weight of 167.21 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-2-(methylidenehydrazinylidene)but-3-enyl]propanamide is sourced from PubChem (CID 171523312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).