(Z)-N-ethyl-3-ethyliminohex-4-enamide;molecular hydrogen

C10H20N2O — CID 154677655

IUPAC(Z)-N-ethyl-3-ethyliminohex-4-enamide;molecular hydrogen
SMILESC/C=C\C(CC(=O)NCC)=N/CC.[H][H]
InChIInChI=1S/C10H18N2O.H2/c1-4-7-9(11-5-2)8-10(13)12-6-3;/h4,7H,5-6,8H2,1-3H3,(H,12,13);1H/b7-4-,11-9+;
InChIKeySBJUGHNIZZGYNL-OVOVTVTFSA-N
MW184.28 g/mol
LogP1.80
Rot. Bonds5

About (Z)-N-ethyl-3-ethyliminohex-4-enamide;molecular hydrogen

(Z)-N-ethyl-3-ethyliminohex-4-enamide;molecular hydrogen (PubChem CID 154677655) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is (Z)-N-ethyl-3-ethyliminohex-4-enamide;molecular hydrogen.

Molecular Properties

Compound Name(Z)-N-ethyl-3-ethyliminohex-4-enamide;molecular hydrogen
PubChem CID154677655
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name(Z)-N-ethyl-3-ethyliminohex-4-enamide;molecular hydrogen
SMILESC/C=C\C(CC(=O)NCC)=N/CC.[H][H]
InChIInChI=1S/C10H18N2O.H2/c1-4-7-9(11-5-2)8-10(13)12-6-3;/h4,7H,5-6,8H2,1-3H3,(H,12,13);1H/b7-4-,11-9+;
InChIKeySBJUGHNIZZGYNL-OVOVTVTFSA-N
XLogP1.80
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-N-ethyl-3-ethyliminohex-4-enamide;molecular hydrogen 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-ethyl-3-ethyliminohex-4-enamide;molecular hydrogen?
The IUPAC name of (Z)-N-ethyl-3-ethyliminohex-4-enamide;molecular hydrogen (CID 154677655) is (Z)-N-ethyl-3-ethyliminohex-4-enamide;molecular hydrogen.
What is the SMILES notation for (Z)-N-ethyl-3-ethyliminohex-4-enamide;molecular hydrogen?
The canonical SMILES for (Z)-N-ethyl-3-ethyliminohex-4-enamide;molecular hydrogen is C/C=C\C(CC(=O)NCC)=N/CC.[H][H].
What is the InChIKey of (Z)-N-ethyl-3-ethyliminohex-4-enamide;molecular hydrogen?
The InChIKey is SBJUGHNIZZGYNL-OVOVTVTFSA-N. The full InChI is InChI=1S/C10H18N2O.H2/c1-4-7-9(11-5-2)8-10(13)12-6-3;/h4,7H,5-6,8H2,1-3H3,(H,12,13);1H/b7-4-,11-9+;.
What are the key properties of (Z)-N-ethyl-3-ethyliminohex-4-enamide;molecular hydrogen?
(Z)-N-ethyl-3-ethyliminohex-4-enamide;molecular hydrogen has a molecular weight of 184.28 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-3-ethyliminohex-4-enamide;molecular hydrogen is sourced from PubChem (CID 154677655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).