(2E)-N-[(E)-but-2-enyl]-2-(methylidenehydrazinylidene)but-3-enamide;ethane

C11H19N3O — CID 178011076

IUPAC(2E)-N-[(E)-but-2-enyl]-2-(methylidenehydrazinylidene)but-3-enamide;ethane
SMILESC=C/C(=N\N=C)C(=O)NC/C=C/C.CC
InChIInChI=1S/C9H13N3O.C2H6/c1-4-6-7-11-9(13)8(5-2)12-10-3;1-2/h4-6H,2-3,7H2,1H3,(H,11,13);1-2H3/b6-4+,12-8+;
InChIKeyFVNHYSMEBULFKR-XDSYWWANSA-N
MW209.29 g/mol
LogP1.95
Rot. Bonds5

About (2E)-N-[(E)-but-2-enyl]-2-(methylidenehydrazinylidene)but-3-enamide;ethane

(2E)-N-[(E)-but-2-enyl]-2-(methylidenehydrazinylidene)but-3-enamide;ethane (PubChem CID 178011076) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is (2E)-N-[(E)-but-2-enyl]-2-(methylidenehydrazinylidene)but-3-enamide;ethane.

Molecular Properties

Compound Name(2E)-N-[(E)-but-2-enyl]-2-(methylidenehydrazinylidene)but-3-enamide;ethane
PubChem CID178011076
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name(2E)-N-[(E)-but-2-enyl]-2-(methylidenehydrazinylidene)but-3-enamide;ethane
SMILESC=C/C(=N\N=C)C(=O)NC/C=C/C.CC
InChIInChI=1S/C9H13N3O.C2H6/c1-4-6-7-11-9(13)8(5-2)12-10-3;1-2/h4-6H,2-3,7H2,1H3,(H,11,13);1-2H3/b6-4+,12-8+;
InChIKeyFVNHYSMEBULFKR-XDSYWWANSA-N
XLogP1.95
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(ethylamino)propan-2-yl]-2-methyliminopent-3-enamide
CID 123673961
N-[(Z)-2-methyliminopent-3-enyl]acetamide
CID 124182649
N-propan-2-yl-2H-pyrrole-5-carboxamide
CID 134452772
N-[(E)-2-ethenyl-4-iminobut-2-enyl]-2-methylpropanamide
CID 139505979
ethane;N-[(Z)-2-methyliminohex-3-enyl]acetamide
CID 143430516
N-(2-iminobut-3-enyl)butanamide;methanimine;molecular hydrogen
CID 144540771
(Z)-4-imino-N-methylpent-2-en-1-amine;N-(2-methylpropyl)acetamide;molecular hydrogen
CID 145282388
(Z)-2-methylimino-N-propan-2-ylhex-3-enamide
CID 170709320
N-[(2E)-2-(methylidenehydrazinylidene)but-3-enyl]propanamide
CID 171523312
N-[(2E)-2-(methylidenehydrazinylidene)but-3-enyl]propanamide;molecular hydrogen
CID 171523476
N-[(2E)-2-(dimethylhydrazinylidene)but-3-enyl]-2-methylpropanamide
CID 171523716
(E)-5-(butylamino)-N-ethyl-4-methyl-2-methyliminopent-3-enamide;molecular hydrogen
CID 172596065

Frequently Asked Questions

What is the IUPAC name of (2E)-N-[(E)-but-2-enyl]-2-(methylidenehydrazinylidene)but-3-enamide;ethane?
The IUPAC name of (2E)-N-[(E)-but-2-enyl]-2-(methylidenehydrazinylidene)but-3-enamide;ethane (CID 178011076) is (2E)-N-[(E)-but-2-enyl]-2-(methylidenehydrazinylidene)but-3-enamide;ethane.
What is the SMILES notation for (2E)-N-[(E)-but-2-enyl]-2-(methylidenehydrazinylidene)but-3-enamide;ethane?
The canonical SMILES for (2E)-N-[(E)-but-2-enyl]-2-(methylidenehydrazinylidene)but-3-enamide;ethane is C=C/C(=N\N=C)C(=O)NC/C=C/C.CC.
What is the InChIKey of (2E)-N-[(E)-but-2-enyl]-2-(methylidenehydrazinylidene)but-3-enamide;ethane?
The InChIKey is FVNHYSMEBULFKR-XDSYWWANSA-N. The full InChI is InChI=1S/C9H13N3O.C2H6/c1-4-6-7-11-9(13)8(5-2)12-10-3;1-2/h4-6H,2-3,7H2,1H3,(H,11,13);1-2H3/b6-4+,12-8+;.
What are the key properties of (2E)-N-[(E)-but-2-enyl]-2-(methylidenehydrazinylidene)but-3-enamide;ethane?
(2E)-N-[(E)-but-2-enyl]-2-(methylidenehydrazinylidene)but-3-enamide;ethane has a molecular weight of 209.29 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-[(E)-but-2-enyl]-2-(methylidenehydrazinylidene)but-3-enamide;ethane is sourced from PubChem (CID 178011076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).