2-(ethylideneamino)ethyl acetate;methanimine;vanadium

C7H14N2O2V — CID 145312862

IUPAC2-(ethylideneamino)ethyl acetate;methanimine;vanadium
SMILESC/C=N/CCOC(C)=O.[H]N=C.[V]
InChIInChI=1S/C6H11NO2.CH3N.V/c1-3-7-4-5-9-6(2)8;1-2;/h3H,4-5H2,1-2H3;2H,1H2;/b7-3+;;
InChIKeyDVWIPYNRHXWMFG-BABLKGGBSA-N
MW209.14 g/mol
LogP0.90
Rot. Bonds3

About 2-(ethylideneamino)ethyl acetate;methanimine;vanadium

2-(ethylideneamino)ethyl acetate;methanimine;vanadium (PubChem CID 145312862) has the molecular formula C7H14N2O2V and a molecular weight of 209.14 g/mol. Its IUPAC name is 2-(ethylideneamino)ethyl acetate;methanimine;vanadium.

Molecular Properties

Compound Name2-(ethylideneamino)ethyl acetate;methanimine;vanadium
PubChem CID145312862
Molecular FormulaC7H14N2O2V
Molecular Weight209.14 g/mol
Exact Mass209.05
IUPAC Name2-(ethylideneamino)ethyl acetate;methanimine;vanadium
SMILESC/C=N/CCOC(C)=O.[H]N=C.[V]
InChIInChI=1S/C6H11NO2.CH3N.V/c1-3-7-4-5-9-6(2)8;1-2;/h3H,4-5H2,1-2H3;2H,1H2;/b7-3+;;
InChIKeyDVWIPYNRHXWMFG-BABLKGGBSA-N
XLogP0.90
TPSA62.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.14
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-(ethylideneamino)acetate
CID 54433510
2-Aminoethyl 2-(ethylideneamino)acetate
CID 91264686
2-Carbamoyliminoethyl acetate
CID 91293820
2-[(3-Imino-2-methylpropylidene)amino]ethyl acetate
CID 123303702
3-Methyliminopropyl 2-aminoacetate
CID 126663277
(2-Ethoxy-2-oxoethyl)-ethylideneazanium
CID 177019646
2-(Ethylideneamino)ethyl acetate
CID 145312863

Frequently Asked Questions

What is the IUPAC name of 2-(ethylideneamino)ethyl acetate;methanimine;vanadium?
The IUPAC name of 2-(ethylideneamino)ethyl acetate;methanimine;vanadium (CID 145312862) is 2-(ethylideneamino)ethyl acetate;methanimine;vanadium.
What is the SMILES notation for 2-(ethylideneamino)ethyl acetate;methanimine;vanadium?
The canonical SMILES for 2-(ethylideneamino)ethyl acetate;methanimine;vanadium is C/C=N/CCOC(C)=O.[H]N=C.[V].
What is the InChIKey of 2-(ethylideneamino)ethyl acetate;methanimine;vanadium?
The InChIKey is DVWIPYNRHXWMFG-BABLKGGBSA-N. The full InChI is InChI=1S/C6H11NO2.CH3N.V/c1-3-7-4-5-9-6(2)8;1-2;/h3H,4-5H2,1-2H3;2H,1H2;/b7-3+;;.
What are the key properties of 2-(ethylideneamino)ethyl acetate;methanimine;vanadium?
2-(ethylideneamino)ethyl acetate;methanimine;vanadium has a molecular weight of 209.14 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylideneamino)ethyl acetate;methanimine;vanadium is sourced from PubChem (CID 145312862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).