(E)-3-methyl-N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]hex-2-enamide

C13H20N2O — CID 121464236

IUPAC(E)-3-methyl-N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]hex-2-enamide
SMILESC=C/C=C(/CNC(=O)/C=C(\C)CCC)N=C
InChIInChI=1S/C13H20N2O/c1-5-7-11(3)9-13(16)15-10-12(14-4)8-6-2/h6,8-9H,2,4-5,7,10H2,1,3H3,(H,15,16)/b11-9+,12-8-
InChIKeyHSVSGXCLKYJRTG-JTTDQXDJSA-N
MW220.32 g/mol
LogP2.62
Rot. Bonds7

About (E)-3-methyl-N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]hex-2-enamide

(E)-3-methyl-N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]hex-2-enamide (PubChem CID 121464236) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (E)-3-methyl-N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]hex-2-enamide.

Molecular Properties

Compound Name(E)-3-methyl-N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]hex-2-enamide
PubChem CID121464236
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(E)-3-methyl-N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]hex-2-enamide
SMILESC=C/C=C(/CNC(=O)/C=C(\C)CCC)N=C
InChIInChI=1S/C13H20N2O/c1-5-7-11(3)9-13(16)15-10-12(14-4)8-6-2/h6,8-9H,2,4-5,7,10H2,1,3H3,(H,15,16)/b11-9+,12-8-
InChIKeyHSVSGXCLKYJRTG-JTTDQXDJSA-N
XLogP2.62
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.62
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

CID 89722374
CID 89722374
CID 89722387
CID 89722387
CID 143721928
CID 143721928
CID 89153676
CID 89153676
CID 89722376
CID 89722376
CID 89722377
CID 89722377
CID 91327061
CID 91327061
CID 118686971
CID 118686971
CID 121464212
CID 121464212
CID 123232736
CID 123232736
CID 123436119
CID 123436119
CID 123585966
CID 123585966

Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]hex-2-enamide?
The IUPAC name of (E)-3-methyl-N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]hex-2-enamide (CID 121464236) is (E)-3-methyl-N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]hex-2-enamide.
What is the SMILES notation for (E)-3-methyl-N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]hex-2-enamide?
The canonical SMILES for (E)-3-methyl-N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]hex-2-enamide is C=C/C=C(/CNC(=O)/C=C(\C)CCC)N=C.
What is the InChIKey of (E)-3-methyl-N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]hex-2-enamide?
The InChIKey is HSVSGXCLKYJRTG-JTTDQXDJSA-N. The full InChI is InChI=1S/C13H20N2O/c1-5-7-11(3)9-13(16)15-10-12(14-4)8-6-2/h6,8-9H,2,4-5,7,10H2,1,3H3,(H,15,16)/b11-9+,12-8-.
What are the key properties of (E)-3-methyl-N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]hex-2-enamide?
(E)-3-methyl-N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]hex-2-enamide has a molecular weight of 220.32 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]hex-2-enamide is sourced from PubChem (CID 121464236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).