N-[3-[[(2Z,4Z)-hexa-2,4-dienylidene]amino]propyl]prop-2-enamide

C12H18N2O — CID 118567457

IUPACN-[3-[[(2Z,4Z)-hexa-2,4-dienylidene]amino]propyl]prop-2-enamide
SMILESC=CC(=O)NCCC/N=C/C=C\C=C/C
InChIInChI=1S/C12H18N2O/c1-3-5-6-7-9-13-10-8-11-14-12(15)4-2/h3-7,9H,2,8,10-11H2,1H3,(H,14,15)/b5-3-,7-6-,13-9+
InChIKeyWVTOEWFVWVEPMR-LWNKMXLLSA-N
MW206.29 g/mol
LogP1.88
Rot. Bonds7

About N-[3-[[(2Z,4Z)-hexa-2,4-dienylidene]amino]propyl]prop-2-enamide

N-[3-[[(2Z,4Z)-hexa-2,4-dienylidene]amino]propyl]prop-2-enamide (PubChem CID 118567457) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-[3-[[(2Z,4Z)-hexa-2,4-dienylidene]amino]propyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[[(2Z,4Z)-hexa-2,4-dienylidene]amino]propyl]prop-2-enamide
PubChem CID118567457
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-[3-[[(2Z,4Z)-hexa-2,4-dienylidene]amino]propyl]prop-2-enamide
SMILESC=CC(=O)NCCC/N=C/C=C\C=C/C
InChIInChI=1S/C12H18N2O/c1-3-5-6-7-9-13-10-8-11-14-12(15)4-2/h3-7,9H,2,8,10-11H2,1H3,(H,14,15)/b5-3-,7-6-,13-9+
InChIKeyWVTOEWFVWVEPMR-LWNKMXLLSA-N
XLogP1.88
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[3-[[(2Z,4Z)-hexa-2,4-dienylidene]amino]propyl]prop-2-enamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2Z,4Z)-hexa-2,4-dienylidene]amino]propyl]prop-2-enamide?
The IUPAC name of N-[3-[[(2Z,4Z)-hexa-2,4-dienylidene]amino]propyl]prop-2-enamide (CID 118567457) is N-[3-[[(2Z,4Z)-hexa-2,4-dienylidene]amino]propyl]prop-2-enamide.
What is the SMILES notation for N-[3-[[(2Z,4Z)-hexa-2,4-dienylidene]amino]propyl]prop-2-enamide?
The canonical SMILES for N-[3-[[(2Z,4Z)-hexa-2,4-dienylidene]amino]propyl]prop-2-enamide is C=CC(=O)NCCC/N=C/C=C\C=C/C.
What is the InChIKey of N-[3-[[(2Z,4Z)-hexa-2,4-dienylidene]amino]propyl]prop-2-enamide?
The InChIKey is WVTOEWFVWVEPMR-LWNKMXLLSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-5-6-7-9-13-10-8-11-14-12(15)4-2/h3-7,9H,2,8,10-11H2,1H3,(H,14,15)/b5-3-,7-6-,13-9+.
What are the key properties of N-[3-[[(2Z,4Z)-hexa-2,4-dienylidene]amino]propyl]prop-2-enamide?
N-[3-[[(2Z,4Z)-hexa-2,4-dienylidene]amino]propyl]prop-2-enamide has a molecular weight of 206.29 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2Z,4Z)-hexa-2,4-dienylidene]amino]propyl]prop-2-enamide is sourced from PubChem (CID 118567457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).