(Z)-N,N-dibutyl-3-iodoprop-2-enamide

C11H20INO — CID 135010766

IUPAC(Z)-N,N-dibutyl-3-iodoprop-2-enamide
SMILESCCCCN(CCCC)C(=O)/C=C\I
InChIInChI=1S/C11H20INO/c1-3-5-9-13(10-6-4-2)11(14)7-8-12/h7-8H,3-6,9-10H2,1-2H3/b8-7-
InChIKeyJURKMPJMCRESOB-FPLPWBNLSA-N
MW309.19 g/mol
LogP3.36
Rot. Bonds7

About (Z)-N,N-dibutyl-3-iodoprop-2-enamide

(Z)-N,N-dibutyl-3-iodoprop-2-enamide (PubChem CID 135010766) has the molecular formula C11H20INO and a molecular weight of 309.19 g/mol. Its IUPAC name is (Z)-N,N-dibutyl-3-iodoprop-2-enamide.

Molecular Properties

Compound Name(Z)-N,N-dibutyl-3-iodoprop-2-enamide
PubChem CID135010766
Molecular FormulaC11H20INO
Molecular Weight309.19 g/mol
Exact Mass309.06
IUPAC Name(Z)-N,N-dibutyl-3-iodoprop-2-enamide
SMILESCCCCN(CCCC)C(=O)/C=C\I
InChIInChI=1S/C11H20INO/c1-3-5-9-13(10-6-4-2)11(14)7-8-12/h7-8H,3-6,9-10H2,1-2H3/b8-7-
InChIKeyJURKMPJMCRESOB-FPLPWBNLSA-N
XLogP3.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-N,N-dibutyl-3-iodoprop-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 (Z)-N,N-dibutyl-3-iodoprop-2-enamide?
The IUPAC name of (Z)-N,N-dibutyl-3-iodoprop-2-enamide (CID 135010766) is (Z)-N,N-dibutyl-3-iodoprop-2-enamide.
What is the SMILES notation for (Z)-N,N-dibutyl-3-iodoprop-2-enamide?
The canonical SMILES for (Z)-N,N-dibutyl-3-iodoprop-2-enamide is CCCCN(CCCC)C(=O)/C=C\I.
What is the InChIKey of (Z)-N,N-dibutyl-3-iodoprop-2-enamide?
The InChIKey is JURKMPJMCRESOB-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H20INO/c1-3-5-9-13(10-6-4-2)11(14)7-8-12/h7-8H,3-6,9-10H2,1-2H3/b8-7-.
What are the key properties of (Z)-N,N-dibutyl-3-iodoprop-2-enamide?
(Z)-N,N-dibutyl-3-iodoprop-2-enamide has a molecular weight of 309.19 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N-dibutyl-3-iodoprop-2-enamide is sourced from PubChem (CID 135010766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).