(2Z)-N-ethyl-3-methyl-2-(methylideneamino)penta-2,4-dienamide

C9H14N2O — CID 171099293

IUPAC(2Z)-N-ethyl-3-methyl-2-(methylideneamino)penta-2,4-dienamide
SMILESC=C/C(C)=C(\N=C)C(=O)NCC
InChIInChI=1S/C9H14N2O/c1-5-7(3)8(10-4)9(12)11-6-2/h5H,1,4,6H2,2-3H3,(H,11,12)/b8-7-
InChIKeyVGLUSXBPKSLICJ-FPLPWBNLSA-N
MW166.22 g/mol
LogP1.28
Rot. Bonds4

About (2Z)-N-ethyl-3-methyl-2-(methylideneamino)penta-2,4-dienamide

(2Z)-N-ethyl-3-methyl-2-(methylideneamino)penta-2,4-dienamide (PubChem CID 171099293) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is (2Z)-N-ethyl-3-methyl-2-(methylideneamino)penta-2,4-dienamide.

Molecular Properties

Compound Name(2Z)-N-ethyl-3-methyl-2-(methylideneamino)penta-2,4-dienamide
PubChem CID171099293
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name(2Z)-N-ethyl-3-methyl-2-(methylideneamino)penta-2,4-dienamide
SMILESC=C/C(C)=C(\N=C)C(=O)NCC
InChIInChI=1S/C9H14N2O/c1-5-7(3)8(10-4)9(12)11-6-2/h5H,1,4,6H2,2-3H3,(H,11,12)/b8-7-
InChIKeyVGLUSXBPKSLICJ-FPLPWBNLSA-N
XLogP1.28
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.28
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

(E)-4,4,4-trifluoro-3-methyl-N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]but-2-enamide
CID 148036794
N-(4-methyl-2-oxo-1H-pyridin-3-yl)acetamide
CID 101043063
(E)-3-methyl-N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]hept-2-enamide
CID 121464212
(E)-3-methyl-N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]hex-2-enamide
CID 121464236
(Z)-N-ethyl-2-(methylideneamino)pent-2-enamide
CID 131997258
3-(ethylideneamino)-4-methyl-1H-pyridin-2-one
CID 142610508
Ethane;4-ethenyl-3-(methylideneamino)-1,2-dihydropyrrol-5-one
CID 143711201
ethane;(2Z)-N-ethyl-N,3-dimethyl-2-(methylideneamino)penta-2,4-dienamide
CID 143810965
(2Z)-N,3-dimethyl-2-(methylideneamino)penta-2,4-dienamide;ethane
CID 144293754
4-ethenyl-5-(methylideneamino)-2,3-dihydro-1H-pyridin-6-one
CID 144338510
(2Z)-N-tert-butyl-3-methyl-2-(methylideneamino)penta-2,4-dienamide;molecular hydrogen
CID 145293395
(2Z)-N-tert-butyl-3-methyl-2-(methylideneamino)penta-2,4-dienamide
CID 145293396

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-ethyl-3-methyl-2-(methylideneamino)penta-2,4-dienamide?
The IUPAC name of (2Z)-N-ethyl-3-methyl-2-(methylideneamino)penta-2,4-dienamide (CID 171099293) is (2Z)-N-ethyl-3-methyl-2-(methylideneamino)penta-2,4-dienamide.
What is the SMILES notation for (2Z)-N-ethyl-3-methyl-2-(methylideneamino)penta-2,4-dienamide?
The canonical SMILES for (2Z)-N-ethyl-3-methyl-2-(methylideneamino)penta-2,4-dienamide is C=C/C(C)=C(\N=C)C(=O)NCC.
What is the InChIKey of (2Z)-N-ethyl-3-methyl-2-(methylideneamino)penta-2,4-dienamide?
The InChIKey is VGLUSXBPKSLICJ-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H14N2O/c1-5-7(3)8(10-4)9(12)11-6-2/h5H,1,4,6H2,2-3H3,(H,11,12)/b8-7-.
What are the key properties of (2Z)-N-ethyl-3-methyl-2-(methylideneamino)penta-2,4-dienamide?
(2Z)-N-ethyl-3-methyl-2-(methylideneamino)penta-2,4-dienamide has a molecular weight of 166.22 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-ethyl-3-methyl-2-(methylideneamino)penta-2,4-dienamide is sourced from PubChem (CID 171099293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).