(E)-5-(2-methoxyethylamino)pent-3-en-2-one

C8H15NO2 — CID 135183509

IUPAC(E)-5-(2-methoxyethylamino)pent-3-en-2-one
SMILESCOCCNC/C=C/C(C)=O
InChIInChI=1S/C8H15NO2/c1-8(10)4-3-5-9-6-7-11-2/h3-4,9H,5-7H2,1-2H3/b4-3+
InChIKeyMRIUVJCGVPJLGF-ONEGZZNKSA-N
MW157.21 g/mol
LogP0.37
Rot. Bonds6

About (E)-5-(2-methoxyethylamino)pent-3-en-2-one

(E)-5-(2-methoxyethylamino)pent-3-en-2-one (PubChem CID 135183509) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (E)-5-(2-methoxyethylamino)pent-3-en-2-one.

Molecular Properties

Compound Name(E)-5-(2-methoxyethylamino)pent-3-en-2-one
PubChem CID135183509
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(E)-5-(2-methoxyethylamino)pent-3-en-2-one
SMILESCOCCNC/C=C/C(C)=O
InChIInChI=1S/C8H15NO2/c1-8(10)4-3-5-9-6-7-11-2/h3-4,9H,5-7H2,1-2H3/b4-3+
InChIKeyMRIUVJCGVPJLGF-ONEGZZNKSA-N
XLogP0.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-5-(2-methoxyethylamino)pent-3-en-2-one?
The IUPAC name of (E)-5-(2-methoxyethylamino)pent-3-en-2-one (CID 135183509) is (E)-5-(2-methoxyethylamino)pent-3-en-2-one.
What is the SMILES notation for (E)-5-(2-methoxyethylamino)pent-3-en-2-one?
The canonical SMILES for (E)-5-(2-methoxyethylamino)pent-3-en-2-one is COCCNC/C=C/C(C)=O.
What is the InChIKey of (E)-5-(2-methoxyethylamino)pent-3-en-2-one?
The InChIKey is MRIUVJCGVPJLGF-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H15NO2/c1-8(10)4-3-5-9-6-7-11-2/h3-4,9H,5-7H2,1-2H3/b4-3+.
What are the key properties of (E)-5-(2-methoxyethylamino)pent-3-en-2-one?
(E)-5-(2-methoxyethylamino)pent-3-en-2-one has a molecular weight of 157.21 g/mol, XLogP of 0.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(2-methoxyethylamino)pent-3-en-2-one is sourced from PubChem (CID 135183509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).