(E,4Z)-N,2-dimethyl-4-[(methylideneamino)methylidene]hex-2-enamide

C10H16N2O — CID 130403843

IUPAC(E,4Z)-N,2-dimethyl-4-[(methylideneamino)methylidene]hex-2-enamide
SMILESC=N/C=C(\C=C(/C)C(=O)NC)CC
InChIInChI=1S/C10H16N2O/c1-5-9(7-11-3)6-8(2)10(13)12-4/h6-7H,3,5H2,1-2,4H3,(H,12,13)/b8-6+,9-7-
InChIKeyGBJBWTJFOGTVNX-FFELTBSMSA-N
MW180.25 g/mol
LogP1.67
Rot. Bonds4

About (E,4Z)-N,2-dimethyl-4-[(methylideneamino)methylidene]hex-2-enamide

(E,4Z)-N,2-dimethyl-4-[(methylideneamino)methylidene]hex-2-enamide (PubChem CID 130403843) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is (E,4Z)-N,2-dimethyl-4-[(methylideneamino)methylidene]hex-2-enamide.

Molecular Properties

Compound Name(E,4Z)-N,2-dimethyl-4-[(methylideneamino)methylidene]hex-2-enamide
PubChem CID130403843
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name(E,4Z)-N,2-dimethyl-4-[(methylideneamino)methylidene]hex-2-enamide
SMILESC=N/C=C(\C=C(/C)C(=O)NC)CC
InChIInChI=1S/C10H16N2O/c1-5-9(7-11-3)6-8(2)10(13)12-4/h6-7H,3,5H2,1-2,4H3,(H,12,13)/b8-6+,9-7-
InChIKeyGBJBWTJFOGTVNX-FFELTBSMSA-N
XLogP1.67
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3,5-Dimethyl-1,2-dihydropyridin-2-one
CID 12348538
3-(Aminomethyl)-5-methylpyridin-2-ol
CID 62652428
Butenylpyridinone
CID 91431881
trans-Propenyl-pyridone
CID 91565194
Isobutenyl-pyridone
CID 129694189
1-Methyl-5-(4-methylamino-1-butenyl)-2(1h)-pyridone
CID 129878592
(2E)-N-[(E)-but-1-enyl]-2-[(Z)-3-fluoroprop-1-enyl]penta-2,4-dienamide
CID 143034362
3-Pyridinecarbonitrile, 5-ethyl-1,2-dihydro-2-oxo-
CID 282367
6-Hydroxy-5-methylnicotinamide
CID 13004796
3,5-diethyl-1H-pyridin-2-one
CID 20872596
5-ethyl-3-methyl-1H-pyridin-2-one
CID 20872605
(4E)-N-Methyl-5-(6-hydroxy-3-pyridyl)-4-penten-2-amine
CID 22144481

Frequently Asked Questions

What is the IUPAC name of (E,4Z)-N,2-dimethyl-4-[(methylideneamino)methylidene]hex-2-enamide?
The IUPAC name of (E,4Z)-N,2-dimethyl-4-[(methylideneamino)methylidene]hex-2-enamide (CID 130403843) is (E,4Z)-N,2-dimethyl-4-[(methylideneamino)methylidene]hex-2-enamide.
What is the SMILES notation for (E,4Z)-N,2-dimethyl-4-[(methylideneamino)methylidene]hex-2-enamide?
The canonical SMILES for (E,4Z)-N,2-dimethyl-4-[(methylideneamino)methylidene]hex-2-enamide is C=N/C=C(\C=C(/C)C(=O)NC)CC.
What is the InChIKey of (E,4Z)-N,2-dimethyl-4-[(methylideneamino)methylidene]hex-2-enamide?
The InChIKey is GBJBWTJFOGTVNX-FFELTBSMSA-N. The full InChI is InChI=1S/C10H16N2O/c1-5-9(7-11-3)6-8(2)10(13)12-4/h6-7H,3,5H2,1-2,4H3,(H,12,13)/b8-6+,9-7-.
What are the key properties of (E,4Z)-N,2-dimethyl-4-[(methylideneamino)methylidene]hex-2-enamide?
(E,4Z)-N,2-dimethyl-4-[(methylideneamino)methylidene]hex-2-enamide has a molecular weight of 180.25 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4Z)-N,2-dimethyl-4-[(methylideneamino)methylidene]hex-2-enamide is sourced from PubChem (CID 130403843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).