[2-(ethylideneamino)acetyl] hexanoate

C10H17NO3 — CID 141083109

IUPAC[2-(ethylideneamino)acetyl] hexanoate
SMILESC/C=N/CC(=O)OC(=O)CCCCC
InChIInChI=1S/C10H17NO3/c1-3-5-6-7-9(12)14-10(13)8-11-4-2/h4H,3,5-8H2,1-2H3/b11-4+
InChIKeyQNPRYZFFJGBTGG-NYYWCZLTSA-N
MW199.25 g/mol
LogP1.73
Rot. Bonds6

About [2-(ethylideneamino)acetyl] hexanoate

[2-(ethylideneamino)acetyl] hexanoate (PubChem CID 141083109) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is [2-(ethylideneamino)acetyl] hexanoate.

Molecular Properties

Compound Name[2-(ethylideneamino)acetyl] hexanoate
PubChem CID141083109
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name[2-(ethylideneamino)acetyl] hexanoate
SMILESC/C=N/CC(=O)OC(=O)CCCCC
InChIInChI=1S/C10H17NO3/c1-3-5-6-7-9(12)14-10(13)8-11-4-2/h4H,3,5-8H2,1-2H3/b11-4+
InChIKeyQNPRYZFFJGBTGG-NYYWCZLTSA-N
XLogP1.73
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(ethylideneamino)acetyl] hexanoate?
The IUPAC name of [2-(ethylideneamino)acetyl] hexanoate (CID 141083109) is [2-(ethylideneamino)acetyl] hexanoate.
What is the SMILES notation for [2-(ethylideneamino)acetyl] hexanoate?
The canonical SMILES for [2-(ethylideneamino)acetyl] hexanoate is C/C=N/CC(=O)OC(=O)CCCCC.
What is the InChIKey of [2-(ethylideneamino)acetyl] hexanoate?
The InChIKey is QNPRYZFFJGBTGG-NYYWCZLTSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-5-6-7-9(12)14-10(13)8-11-4-2/h4H,3,5-8H2,1-2H3/b11-4+.
What are the key properties of [2-(ethylideneamino)acetyl] hexanoate?
[2-(ethylideneamino)acetyl] hexanoate has a molecular weight of 199.25 g/mol, XLogP of 1.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylideneamino)acetyl] hexanoate is sourced from PubChem (CID 141083109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).