(Z)-3-methyl-2-(methylamino)-N-[(3E)-penta-1,3-dien-3-yl]pent-2-enamide

C12H20N2O — CID 144654601

IUPAC(Z)-3-methyl-2-(methylamino)-N-[(3E)-penta-1,3-dien-3-yl]pent-2-enamide
SMILESC=C/C(=C\C)NC(=O)/C(NC)=C(\C)CC
InChIInChI=1S/C12H20N2O/c1-6-9(4)11(13-5)12(15)14-10(7-2)8-3/h7-8,13H,2,6H2,1,3-5H3,(H,14,15)/b10-8+,11-9-
InChIKeyOWIJNVWEYBEMCF-GOOGBFEESA-N
MW208.30 g/mol
LogP2.10
Rot. Bonds5

About (Z)-3-methyl-2-(methylamino)-N-[(3E)-penta-1,3-dien-3-yl]pent-2-enamide

(Z)-3-methyl-2-(methylamino)-N-[(3E)-penta-1,3-dien-3-yl]pent-2-enamide (PubChem CID 144654601) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is (Z)-3-methyl-2-(methylamino)-N-[(3E)-penta-1,3-dien-3-yl]pent-2-enamide.

Molecular Properties

Compound Name(Z)-3-methyl-2-(methylamino)-N-[(3E)-penta-1,3-dien-3-yl]pent-2-enamide
PubChem CID144654601
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name(Z)-3-methyl-2-(methylamino)-N-[(3E)-penta-1,3-dien-3-yl]pent-2-enamide
SMILESC=C/C(=C\C)NC(=O)/C(NC)=C(\C)CC
InChIInChI=1S/C12H20N2O/c1-6-9(4)11(13-5)12(15)14-10(7-2)8-3/h7-8,13H,2,6H2,1,3-5H3,(H,14,15)/b10-8+,11-9-
InChIKeyOWIJNVWEYBEMCF-GOOGBFEESA-N
XLogP2.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-methyl-2-(methylamino)-N-[(3E)-penta-1,3-dien-3-yl]pent-2-enamide?
The IUPAC name of (Z)-3-methyl-2-(methylamino)-N-[(3E)-penta-1,3-dien-3-yl]pent-2-enamide (CID 144654601) is (Z)-3-methyl-2-(methylamino)-N-[(3E)-penta-1,3-dien-3-yl]pent-2-enamide.
What is the SMILES notation for (Z)-3-methyl-2-(methylamino)-N-[(3E)-penta-1,3-dien-3-yl]pent-2-enamide?
The canonical SMILES for (Z)-3-methyl-2-(methylamino)-N-[(3E)-penta-1,3-dien-3-yl]pent-2-enamide is C=C/C(=C\C)NC(=O)/C(NC)=C(\C)CC.
What is the InChIKey of (Z)-3-methyl-2-(methylamino)-N-[(3E)-penta-1,3-dien-3-yl]pent-2-enamide?
The InChIKey is OWIJNVWEYBEMCF-GOOGBFEESA-N. The full InChI is InChI=1S/C12H20N2O/c1-6-9(4)11(13-5)12(15)14-10(7-2)8-3/h7-8,13H,2,6H2,1,3-5H3,(H,14,15)/b10-8+,11-9-.
What are the key properties of (Z)-3-methyl-2-(methylamino)-N-[(3E)-penta-1,3-dien-3-yl]pent-2-enamide?
(Z)-3-methyl-2-(methylamino)-N-[(3E)-penta-1,3-dien-3-yl]pent-2-enamide has a molecular weight of 208.30 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-2-(methylamino)-N-[(3E)-penta-1,3-dien-3-yl]pent-2-enamide is sourced from PubChem (CID 144654601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).