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

C9H13N3O — CID 178011077

IUPAC(2E)-N-[(E)-but-2-enyl]-2-(methylidenehydrazinylidene)but-3-enamide
SMILESC=C/C(=N\N=C)C(=O)NC/C=C/C
InChIInChI=1S/C9H13N3O/c1-4-6-7-11-9(13)8(5-2)12-10-3/h4-6H,2-3,7H2,1H3,(H,11,13)/b6-4+,12-8+
InChIKeyLSHJLKNPIVORPR-RZYXTZOYSA-N
MW179.22 g/mol
LogP0.92
Rot. Bonds5

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

(2E)-N-[(E)-but-2-enyl]-2-(methylidenehydrazinylidene)but-3-enamide (PubChem CID 178011077) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is (2E)-N-[(E)-but-2-enyl]-2-(methylidenehydrazinylidene)but-3-enamide.

Molecular Properties

Compound Name(2E)-N-[(E)-but-2-enyl]-2-(methylidenehydrazinylidene)but-3-enamide
PubChem CID178011077
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name(2E)-N-[(E)-but-2-enyl]-2-(methylidenehydrazinylidene)but-3-enamide
SMILESC=C/C(=N\N=C)C(=O)NC/C=C/C
InChIInChI=1S/C9H13N3O/c1-4-6-7-11-9(13)8(5-2)12-10-3/h4-6H,2-3,7H2,1H3,(H,11,13)/b6-4+,12-8+
InChIKeyLSHJLKNPIVORPR-RZYXTZOYSA-N
XLogP0.92
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.92
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'}

Analyze (2E)-N-[(E)-but-2-enyl]-2-(methylidenehydrazinylidene)but-3-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-imino-2,3-dihydro-1H-azepin-7-one
CID 123178649
N-(3-aminopropyl)-2-iminobut-3-enamide
CID 123991360
N-[(Z)-2-methyliminopent-3-enyl]acetamide
CID 124182649
N-propan-2-yl-2H-pyrrole-5-carboxamide
CID 134452772
N-(2,3-dihydropyridin-6-ylmethyl)acetamide
CID 143023357
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-[(Z)-2-(but-3-en-2-ylideneamino)but-2-enyl]propanamide
CID 177202358

Frequently Asked Questions

What is the IUPAC name of (2E)-N-[(E)-but-2-enyl]-2-(methylidenehydrazinylidene)but-3-enamide?
The IUPAC name of (2E)-N-[(E)-but-2-enyl]-2-(methylidenehydrazinylidene)but-3-enamide (CID 178011077) is (2E)-N-[(E)-but-2-enyl]-2-(methylidenehydrazinylidene)but-3-enamide.
What is the SMILES notation for (2E)-N-[(E)-but-2-enyl]-2-(methylidenehydrazinylidene)but-3-enamide?
The canonical SMILES for (2E)-N-[(E)-but-2-enyl]-2-(methylidenehydrazinylidene)but-3-enamide is C=C/C(=N\N=C)C(=O)NC/C=C/C.
What is the InChIKey of (2E)-N-[(E)-but-2-enyl]-2-(methylidenehydrazinylidene)but-3-enamide?
The InChIKey is LSHJLKNPIVORPR-RZYXTZOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-4-6-7-11-9(13)8(5-2)12-10-3/h4-6H,2-3,7H2,1H3,(H,11,13)/b6-4+,12-8+.
What are the key properties of (2E)-N-[(E)-but-2-enyl]-2-(methylidenehydrazinylidene)but-3-enamide?
(2E)-N-[(E)-but-2-enyl]-2-(methylidenehydrazinylidene)but-3-enamide has a molecular weight of 179.22 g/mol, XLogP of 0.92, 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 is sourced from PubChem (CID 178011077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).