dipropyl 2-cyclopropyliminopropanedioate

C12H19NO4 — CID 170230283

IUPACdipropyl 2-cyclopropyliminopropanedioate
SMILESCCCOC(=O)C(=NC1CC1)C(=O)OCCC
InChIInChI=1S/C12H19NO4/c1-3-7-16-11(14)10(13-9-5-6-9)12(15)17-8-4-2/h9H,3-8H2,1-2H3
InChIKeyUAMWJUUHFLQPQB-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.50
Rot. Bonds7

About dipropyl 2-cyclopropyliminopropanedioate

dipropyl 2-cyclopropyliminopropanedioate (PubChem CID 170230283) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is dipropyl 2-cyclopropyliminopropanedioate.

Molecular Properties

Compound Namedipropyl 2-cyclopropyliminopropanedioate
PubChem CID170230283
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Namedipropyl 2-cyclopropyliminopropanedioate
SMILESCCCOC(=O)C(=NC1CC1)C(=O)OCCC
InChIInChI=1S/C12H19NO4/c1-3-7-16-11(14)10(13-9-5-6-9)12(15)17-8-4-2/h9H,3-8H2,1-2H3
InChIKeyUAMWJUUHFLQPQB-UHFFFAOYSA-N
XLogP1.50
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 dipropyl 2-cyclopropyliminopropanedioate?
The IUPAC name of dipropyl 2-cyclopropyliminopropanedioate (CID 170230283) is dipropyl 2-cyclopropyliminopropanedioate.
What is the SMILES notation for dipropyl 2-cyclopropyliminopropanedioate?
The canonical SMILES for dipropyl 2-cyclopropyliminopropanedioate is CCCOC(=O)C(=NC1CC1)C(=O)OCCC.
What is the InChIKey of dipropyl 2-cyclopropyliminopropanedioate?
The InChIKey is UAMWJUUHFLQPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-3-7-16-11(14)10(13-9-5-6-9)12(15)17-8-4-2/h9H,3-8H2,1-2H3.
What are the key properties of dipropyl 2-cyclopropyliminopropanedioate?
dipropyl 2-cyclopropyliminopropanedioate has a molecular weight of 241.29 g/mol, XLogP of 1.50, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipropyl 2-cyclopropyliminopropanedioate is sourced from PubChem (CID 170230283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).