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

C8H15N3O — CID 171523476

IUPACN-[(2E)-2-(methylidenehydrazinylidene)but-3-enyl]propanamide;molecular hydrogen
SMILESC=C/C(CNC(=O)CC)=N\N=C.[H][H]
InChIInChI=1S/C8H13N3O.H2/c1-4-7(11-9-3)6-10-8(12)5-2;/h4H,1,3,5-6H2,2H3,(H,10,12);1H/b11-7+;
InChIKeyGEUVVVHBYBULOX-RVDQCCQOSA-N
MW169.23 g/mol
LogP1.00
Rot. Bonds5

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

N-[(2E)-2-(methylidenehydrazinylidene)but-3-enyl]propanamide;molecular hydrogen (PubChem CID 171523476) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is N-[(2E)-2-(methylidenehydrazinylidene)but-3-enyl]propanamide;molecular hydrogen.

Molecular Properties

Compound NameN-[(2E)-2-(methylidenehydrazinylidene)but-3-enyl]propanamide;molecular hydrogen
PubChem CID171523476
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC NameN-[(2E)-2-(methylidenehydrazinylidene)but-3-enyl]propanamide;molecular hydrogen
SMILESC=C/C(CNC(=O)CC)=N\N=C.[H][H]
InChIInChI=1S/C8H13N3O.H2/c1-4-7(11-9-3)6-10-8(12)5-2;/h4H,1,3,5-6H2,2H3,(H,10,12);1H/b11-7+;
InChIKeyGEUVVVHBYBULOX-RVDQCCQOSA-N
XLogP1.00
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 51.00
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;molecular hydrogen?
The IUPAC name of N-[(2E)-2-(methylidenehydrazinylidene)but-3-enyl]propanamide;molecular hydrogen (CID 171523476) is N-[(2E)-2-(methylidenehydrazinylidene)but-3-enyl]propanamide;molecular hydrogen.
What is the SMILES notation for N-[(2E)-2-(methylidenehydrazinylidene)but-3-enyl]propanamide;molecular hydrogen?
The canonical SMILES for N-[(2E)-2-(methylidenehydrazinylidene)but-3-enyl]propanamide;molecular hydrogen is C=C/C(CNC(=O)CC)=N\N=C.[H][H].
What is the InChIKey of N-[(2E)-2-(methylidenehydrazinylidene)but-3-enyl]propanamide;molecular hydrogen?
The InChIKey is GEUVVVHBYBULOX-RVDQCCQOSA-N. The full InChI is InChI=1S/C8H13N3O.H2/c1-4-7(11-9-3)6-10-8(12)5-2;/h4H,1,3,5-6H2,2H3,(H,10,12);1H/b11-7+;.
What are the key properties of N-[(2E)-2-(methylidenehydrazinylidene)but-3-enyl]propanamide;molecular hydrogen?
N-[(2E)-2-(methylidenehydrazinylidene)but-3-enyl]propanamide;molecular hydrogen has a molecular weight of 169.23 g/mol, XLogP of 1.00, 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;molecular hydrogen is sourced from PubChem (CID 171523476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).