methyl 2-(ethylideneamino)propanoate

C6H11NO2 — CID 23394348

IUPACmethyl 2-(ethylideneamino)propanoate
SMILESC/C=N/C(C)C(=O)OC
InChIInChI=1S/C6H11NO2/c1-4-7-5(2)6(8)9-3/h4-5H,1-3H3/b7-4+
InChIKeyIRIHDVNBBKFOLV-QPJJXVBHSA-N
MW129.16 g/mol
LogP0.64
Rot. Bonds2

About methyl 2-(ethylideneamino)propanoate

methyl 2-(ethylideneamino)propanoate (PubChem CID 23394348) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is methyl 2-(ethylideneamino)propanoate.

Molecular Properties

Compound Namemethyl 2-(ethylideneamino)propanoate
PubChem CID23394348
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Namemethyl 2-(ethylideneamino)propanoate
SMILESC/C=N/C(C)C(=O)OC
InChIInChI=1S/C6H11NO2/c1-4-7-5(2)6(8)9-3/h4-5H,1-3H3/b7-4+
InChIKeyIRIHDVNBBKFOLV-QPJJXVBHSA-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-(ethylideneamino)propanoate?
The IUPAC name of methyl 2-(ethylideneamino)propanoate (CID 23394348) is methyl 2-(ethylideneamino)propanoate.
What is the SMILES notation for methyl 2-(ethylideneamino)propanoate?
The canonical SMILES for methyl 2-(ethylideneamino)propanoate is C/C=N/C(C)C(=O)OC.
What is the InChIKey of methyl 2-(ethylideneamino)propanoate?
The InChIKey is IRIHDVNBBKFOLV-QPJJXVBHSA-N. The full InChI is InChI=1S/C6H11NO2/c1-4-7-5(2)6(8)9-3/h4-5H,1-3H3/b7-4+.
What are the key properties of methyl 2-(ethylideneamino)propanoate?
methyl 2-(ethylideneamino)propanoate 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-(ethylideneamino)propanoate is sourced from PubChem (CID 23394348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).