methanediimine;bis(2-methylpent-2-enoic acid)

C13H22N2O4 — CID 173345731

IUPACmethanediimine;bis(2-methylpent-2-enoic acid)
SMILESCCC=C(C)C(=O)O.CCC=C(C)C(=O)O.N=C=N
InChIInChI=1S/2C6H10O2.CH2N2/c2*1-3-4-5(2)6(7)8;2-1-3/h2*4H,3H2,1-2H3,(H,7,8);2-3H
InChIKeyRGGXEXISBGYZFD-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.17
Rot. Bonds4

About methanediimine;bis(2-methylpent-2-enoic acid)

methanediimine;bis(2-methylpent-2-enoic acid) (PubChem CID 173345731) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is methanediimine;bis(2-methylpent-2-enoic acid).

Molecular Properties

Compound Namemethanediimine;bis(2-methylpent-2-enoic acid)
PubChem CID173345731
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Namemethanediimine;bis(2-methylpent-2-enoic acid)
SMILESCCC=C(C)C(=O)O.CCC=C(C)C(=O)O.N=C=N
InChIInChI=1S/2C6H10O2.CH2N2/c2*1-3-4-5(2)6(7)8;2-1-3/h2*4H,3H2,1-2H3,(H,7,8);2-3H
InChIKeyRGGXEXISBGYZFD-UHFFFAOYSA-N
XLogP3.17
TPSA122.30 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methanediimine;bis(2-methylpent-2-enoic acid)?
The IUPAC name of methanediimine;bis(2-methylpent-2-enoic acid) (CID 173345731) is methanediimine;bis(2-methylpent-2-enoic acid).
What is the SMILES notation for methanediimine;bis(2-methylpent-2-enoic acid)?
The canonical SMILES for methanediimine;bis(2-methylpent-2-enoic acid) is CCC=C(C)C(=O)O.CCC=C(C)C(=O)O.N=C=N.
What is the InChIKey of methanediimine;bis(2-methylpent-2-enoic acid)?
The InChIKey is RGGXEXISBGYZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H10O2.CH2N2/c2*1-3-4-5(2)6(7)8;2-1-3/h2*4H,3H2,1-2H3,(H,7,8);2-3H.
What are the key properties of methanediimine;bis(2-methylpent-2-enoic acid)?
methanediimine;bis(2-methylpent-2-enoic acid) has a molecular weight of 270.33 g/mol, XLogP of 3.17, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanediimine;bis(2-methylpent-2-enoic acid) is sourced from PubChem (CID 173345731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).