ethyl 2-(propan-2-ylideneamino)acetate

C7H13NO2 — CID 21016696

IUPACethyl 2-(propan-2-ylideneamino)acetate
SMILESCCOC(=O)CN=C(C)C
InChIInChI=1S/C7H13NO2/c1-4-10-7(9)5-8-6(2)3/h4-5H2,1-3H3
InChIKeyFHHCCIFMWNIXHM-UHFFFAOYSA-N
MW143.19 g/mol
LogP1.03
Rot. Bonds3

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

ethyl 2-(propan-2-ylideneamino)acetate (PubChem CID 21016696) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is ethyl 2-(propan-2-ylideneamino)acetate.

Molecular Properties

Compound Nameethyl 2-(propan-2-ylideneamino)acetate
PubChem CID21016696
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Nameethyl 2-(propan-2-ylideneamino)acetate
SMILESCCOC(=O)CN=C(C)C
InChIInChI=1S/C7H13NO2/c1-4-10-7(9)5-8-6(2)3/h4-5H2,1-3H3
InChIKeyFHHCCIFMWNIXHM-UHFFFAOYSA-N
XLogP1.03
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.03
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 ethyl 2-(propan-2-ylideneamino)acetate?
The IUPAC name of ethyl 2-(propan-2-ylideneamino)acetate (CID 21016696) is ethyl 2-(propan-2-ylideneamino)acetate.
What is the SMILES notation for ethyl 2-(propan-2-ylideneamino)acetate?
The canonical SMILES for ethyl 2-(propan-2-ylideneamino)acetate is CCOC(=O)CN=C(C)C.
What is the InChIKey of ethyl 2-(propan-2-ylideneamino)acetate?
The InChIKey is FHHCCIFMWNIXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-10-7(9)5-8-6(2)3/h4-5H2,1-3H3.
What are the key properties of ethyl 2-(propan-2-ylideneamino)acetate?
ethyl 2-(propan-2-ylideneamino)acetate has a molecular weight of 143.19 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(propan-2-ylideneamino)acetate is sourced from PubChem (CID 21016696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).