methyl 2-(propan-2-ylideneamino)acetate

C6H11NO2 — CID 11829458

IUPACmethyl 2-(propan-2-ylideneamino)acetate
SMILESCOC(=O)CN=C(C)C
InChIInChI=1S/C6H11NO2/c1-5(2)7-4-6(8)9-3/h4H2,1-3H3
InChIKeySTSZHVLJLYLODA-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.64
Rot. Bonds2

About methyl 2-(propan-2-ylideneamino)acetate

methyl 2-(propan-2-ylideneamino)acetate (PubChem CID 11829458) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is methyl 2-(propan-2-ylideneamino)acetate.

Molecular Properties

Compound Namemethyl 2-(propan-2-ylideneamino)acetate
PubChem CID11829458
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Namemethyl 2-(propan-2-ylideneamino)acetate
SMILESCOC(=O)CN=C(C)C
InChIInChI=1S/C6H11NO2/c1-5(2)7-4-6(8)9-3/h4H2,1-3H3
InChIKeySTSZHVLJLYLODA-UHFFFAOYSA-N
XLogP0.64
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(propan-2-ylideneamino)acetate?
The IUPAC name of methyl 2-(propan-2-ylideneamino)acetate (CID 11829458) is methyl 2-(propan-2-ylideneamino)acetate.
What is the SMILES notation for methyl 2-(propan-2-ylideneamino)acetate?
The canonical SMILES for methyl 2-(propan-2-ylideneamino)acetate is COC(=O)CN=C(C)C.
What is the InChIKey of methyl 2-(propan-2-ylideneamino)acetate?
The InChIKey is STSZHVLJLYLODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-5(2)7-4-6(8)9-3/h4H2,1-3H3.
What are the key properties of methyl 2-(propan-2-ylideneamino)acetate?
methyl 2-(propan-2-ylideneamino)acetate has a molecular weight of 129.16 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(propan-2-ylideneamino)acetate is sourced from PubChem (CID 11829458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).