(2E)-2-(methylidenehydrazinylidene)-N-prop-2-enylbut-3-enamide

C8H11N3O — CID 178010345

IUPAC(2E)-2-(methylidenehydrazinylidene)-N-prop-2-enylbut-3-enamide
SMILESC=CCNC(=O)/C(C=C)=N/N=C
InChIInChI=1S/C8H11N3O/c1-4-6-10-8(12)7(5-2)11-9-3/h4-5H,1-3,6H2,(H,10,12)/b11-7+
InChIKeyUHDCUDAOVQIPDW-YRNVUSSQSA-N
MW165.20 g/mol
LogP0.53
Rot. Bonds5

About (2E)-2-(methylidenehydrazinylidene)-N-prop-2-enylbut-3-enamide

(2E)-2-(methylidenehydrazinylidene)-N-prop-2-enylbut-3-enamide (PubChem CID 178010345) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is (2E)-2-(methylidenehydrazinylidene)-N-prop-2-enylbut-3-enamide.

Molecular Properties

Compound Name(2E)-2-(methylidenehydrazinylidene)-N-prop-2-enylbut-3-enamide
PubChem CID178010345
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name(2E)-2-(methylidenehydrazinylidene)-N-prop-2-enylbut-3-enamide
SMILESC=CCNC(=O)/C(C=C)=N/N=C
InChIInChI=1S/C8H11N3O/c1-4-6-10-8(12)7(5-2)11-9-3/h4-5H,1-3,6H2,(H,10,12)/b11-7+
InChIKeyUHDCUDAOVQIPDW-YRNVUSSQSA-N
XLogP0.53
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.53
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-prop-2-enylazete-2-carboxamide
CID 57230834
6-imino-2,3-dihydro-1H-azepin-7-one
CID 123178649
N-(3-aminopropyl)-2-iminobut-3-enamide
CID 123991360
N-(2-iminobut-3-enyl)butanamide;methanimine;molecular hydrogen
CID 144540771
N-[(2E)-2-(methylidenehydrazinylidene)but-3-enyl]propanamide
CID 171523312
N-[(2E)-2-(methylidenehydrazinylidene)but-3-enyl]propanamide;molecular hydrogen
CID 171523476
(2E)-N-[(E)-but-2-enyl]-2-(methylidenehydrazinylidene)but-3-enamide;ethane
CID 178011076
N-(2-iminobut-3-enyl)butanamide
CID 144540772
N-[(E)-but-2-enyl]-2-ethenyliminobut-3-enamide
CID 178010299
(2E)-N-[(E)-but-2-enyl]-2-(methylidenehydrazinylidene)but-3-enamide
CID 178011077

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(methylidenehydrazinylidene)-N-prop-2-enylbut-3-enamide?
The IUPAC name of (2E)-2-(methylidenehydrazinylidene)-N-prop-2-enylbut-3-enamide (CID 178010345) is (2E)-2-(methylidenehydrazinylidene)-N-prop-2-enylbut-3-enamide.
What is the SMILES notation for (2E)-2-(methylidenehydrazinylidene)-N-prop-2-enylbut-3-enamide?
The canonical SMILES for (2E)-2-(methylidenehydrazinylidene)-N-prop-2-enylbut-3-enamide is C=CCNC(=O)/C(C=C)=N/N=C.
What is the InChIKey of (2E)-2-(methylidenehydrazinylidene)-N-prop-2-enylbut-3-enamide?
The InChIKey is UHDCUDAOVQIPDW-YRNVUSSQSA-N. The full InChI is InChI=1S/C8H11N3O/c1-4-6-10-8(12)7(5-2)11-9-3/h4-5H,1-3,6H2,(H,10,12)/b11-7+.
What are the key properties of (2E)-2-(methylidenehydrazinylidene)-N-prop-2-enylbut-3-enamide?
(2E)-2-(methylidenehydrazinylidene)-N-prop-2-enylbut-3-enamide has a molecular weight of 165.20 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(methylidenehydrazinylidene)-N-prop-2-enylbut-3-enamide is sourced from PubChem (CID 178010345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).