propyl 3-ethyl-2-iminopentanoate

C10H19NO2 — CID 57264771

IUPACpropyl 3-ethyl-2-iminopentanoate
SMILES[H]/N=C(\C(=O)OCCC)C(CC)CC
InChIInChI=1S/C10H19NO2/c1-4-7-13-10(12)9(11)8(5-2)6-3/h8,11H,4-7H2,1-3H3/b11-9-
InChIKeyIVZCHHQUZQZDAV-LUAWRHEFSA-N
MW185.27 g/mol
LogP2.40
Rot. Bonds6

About propyl 3-ethyl-2-iminopentanoate

propyl 3-ethyl-2-iminopentanoate (PubChem CID 57264771) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is propyl 3-ethyl-2-iminopentanoate.

Molecular Properties

Compound Namepropyl 3-ethyl-2-iminopentanoate
PubChem CID57264771
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namepropyl 3-ethyl-2-iminopentanoate
SMILES[H]/N=C(\C(=O)OCCC)C(CC)CC
InChIInChI=1S/C10H19NO2/c1-4-7-13-10(12)9(11)8(5-2)6-3/h8,11H,4-7H2,1-3H3/b11-9-
InChIKeyIVZCHHQUZQZDAV-LUAWRHEFSA-N
XLogP2.40
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.40
H-Bond Donors ≤ 51
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 propyl 3-ethyl-2-iminopentanoate?
The IUPAC name of propyl 3-ethyl-2-iminopentanoate (CID 57264771) is propyl 3-ethyl-2-iminopentanoate.
What is the SMILES notation for propyl 3-ethyl-2-iminopentanoate?
The canonical SMILES for propyl 3-ethyl-2-iminopentanoate is [H]/N=C(\C(=O)OCCC)C(CC)CC.
What is the InChIKey of propyl 3-ethyl-2-iminopentanoate?
The InChIKey is IVZCHHQUZQZDAV-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-7-13-10(12)9(11)8(5-2)6-3/h8,11H,4-7H2,1-3H3/b11-9-.
What are the key properties of propyl 3-ethyl-2-iminopentanoate?
propyl 3-ethyl-2-iminopentanoate has a molecular weight of 185.27 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-ethyl-2-iminopentanoate is sourced from PubChem (CID 57264771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).