(2E)-2-(methyliminomethyl)-N-[(Z)-pent-3-en-2-yl]penta-2,4-dienamide

C12H18N2O — CID 143484102

IUPAC(2E)-2-(methyliminomethyl)-N-[(Z)-pent-3-en-2-yl]penta-2,4-dienamide
SMILESC=C/C=C(\C=N\C)C(=O)NC(C)/C=C\C
InChIInChI=1S/C12H18N2O/c1-5-7-10(3)14-12(15)11(8-6-2)9-13-4/h5-10H,2H2,1,3-4H3,(H,14,15)/b7-5-,11-8+,13-9+
InChIKeyRPRWHFUOMCZDEA-OTKQAFBZSA-N
MW206.29 g/mol
LogP1.88
Rot. Bonds5

About (2E)-2-(methyliminomethyl)-N-[(Z)-pent-3-en-2-yl]penta-2,4-dienamide

(2E)-2-(methyliminomethyl)-N-[(Z)-pent-3-en-2-yl]penta-2,4-dienamide (PubChem CID 143484102) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (2E)-2-(methyliminomethyl)-N-[(Z)-pent-3-en-2-yl]penta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-2-(methyliminomethyl)-N-[(Z)-pent-3-en-2-yl]penta-2,4-dienamide
PubChem CID143484102
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(2E)-2-(methyliminomethyl)-N-[(Z)-pent-3-en-2-yl]penta-2,4-dienamide
SMILESC=C/C=C(\C=N\C)C(=O)NC(C)/C=C\C
InChIInChI=1S/C12H18N2O/c1-5-7-10(3)14-12(15)11(8-6-2)9-13-4/h5-10H,2H2,1,3-4H3,(H,14,15)/b7-5-,11-8+,13-9+
InChIKeyRPRWHFUOMCZDEA-OTKQAFBZSA-N
XLogP1.88
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E)-2-(methyliminomethyl)-N-[(Z)-pent-3-en-2-yl]penta-2,4-dienamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Sarmentosamide
CID 139584912
N-propyl-3-acetamido-1,5-cyclohexadienecarboxamide
CID 20375725
N-propyl-3-amino-1,5-cyclohexadienecarboxamide hydrochloride
CID 20375741
3-amino-N-propylcyclohexa-1,5-diene-1-carboxamide
CID 20375742
N'-butan-2-yl-4-methylidenepent-2-enediamide
CID 88022270
(2E)-2-[(Z)-3-aminoprop-1-enyl]-N-ethylpenta-2,4-dienamide
CID 89043475
4-amino-N-propan-2-ylcyclohexa-1,5-diene-1-carboxamide
CID 89073851
(E,4E)-4-ethylidene-N,N'-bis(3-methoxypropyl)-2-(methyliminomethyl)pent-2-enediamide
CID 89545862
2-ethylidene-N-propan-2-ylpent-3-enamide
CID 90780254
3-methanimidoyl-4-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-5-one
CID 118287089
5-methanimidoyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyridin-6-one
CID 118287090
(2E,4E)-N-cyclopropyl-2-ethyl-7-imino-5-methylhepta-2,4-dienamide
CID 123160009

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(methyliminomethyl)-N-[(Z)-pent-3-en-2-yl]penta-2,4-dienamide?
The IUPAC name of (2E)-2-(methyliminomethyl)-N-[(Z)-pent-3-en-2-yl]penta-2,4-dienamide (CID 143484102) is (2E)-2-(methyliminomethyl)-N-[(Z)-pent-3-en-2-yl]penta-2,4-dienamide.
What is the SMILES notation for (2E)-2-(methyliminomethyl)-N-[(Z)-pent-3-en-2-yl]penta-2,4-dienamide?
The canonical SMILES for (2E)-2-(methyliminomethyl)-N-[(Z)-pent-3-en-2-yl]penta-2,4-dienamide is C=C/C=C(\C=N\C)C(=O)NC(C)/C=C\C.
What is the InChIKey of (2E)-2-(methyliminomethyl)-N-[(Z)-pent-3-en-2-yl]penta-2,4-dienamide?
The InChIKey is RPRWHFUOMCZDEA-OTKQAFBZSA-N. The full InChI is InChI=1S/C12H18N2O/c1-5-7-10(3)14-12(15)11(8-6-2)9-13-4/h5-10H,2H2,1,3-4H3,(H,14,15)/b7-5-,11-8+,13-9+.
What are the key properties of (2E)-2-(methyliminomethyl)-N-[(Z)-pent-3-en-2-yl]penta-2,4-dienamide?
(2E)-2-(methyliminomethyl)-N-[(Z)-pent-3-en-2-yl]penta-2,4-dienamide has a molecular weight of 206.29 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(methyliminomethyl)-N-[(Z)-pent-3-en-2-yl]penta-2,4-dienamide is sourced from PubChem (CID 143484102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).