(3-imino-3-methoxypropyl) acetate

C6H11NO3 — CID 14860727

IUPAC(3-imino-3-methoxypropyl) acetate
SMILES[H]/N=C(/CCOC(C)=O)OC
InChIInChI=1S/C6H11NO3/c1-5(8)10-4-3-6(7)9-2/h7H,3-4H2,1-2H3/b7-6-
InChIKeySUOMJEKKMIYYGO-SREVYHEPSA-N
MW145.16 g/mol
LogP0.56
Rot. Bonds3

About (3-imino-3-methoxypropyl) acetate

(3-imino-3-methoxypropyl) acetate (PubChem CID 14860727) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is (3-imino-3-methoxypropyl) acetate.

Molecular Properties

Compound Name(3-imino-3-methoxypropyl) acetate
PubChem CID14860727
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name(3-imino-3-methoxypropyl) acetate
SMILES[H]/N=C(/CCOC(C)=O)OC
InChIInChI=1S/C6H11NO3/c1-5(8)10-4-3-6(7)9-2/h7H,3-4H2,1-2H3/b7-6-
InChIKeySUOMJEKKMIYYGO-SREVYHEPSA-N
XLogP0.56
TPSA59.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-imino-3-methoxypropyl) acetate?
The IUPAC name of (3-imino-3-methoxypropyl) acetate (CID 14860727) is (3-imino-3-methoxypropyl) acetate.
What is the SMILES notation for (3-imino-3-methoxypropyl) acetate?
The canonical SMILES for (3-imino-3-methoxypropyl) acetate is [H]/N=C(/CCOC(C)=O)OC.
What is the InChIKey of (3-imino-3-methoxypropyl) acetate?
The InChIKey is SUOMJEKKMIYYGO-SREVYHEPSA-N. The full InChI is InChI=1S/C6H11NO3/c1-5(8)10-4-3-6(7)9-2/h7H,3-4H2,1-2H3/b7-6-.
What are the key properties of (3-imino-3-methoxypropyl) acetate?
(3-imino-3-methoxypropyl) acetate has a molecular weight of 145.16 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-imino-3-methoxypropyl) acetate is sourced from PubChem (CID 14860727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).