(E)-5-[2-methoxyethyl(propan-2-yl)amino]pent-3-en-2-one

C11H21NO2 — CID 143775785

IUPAC(E)-5-[2-methoxyethyl(propan-2-yl)amino]pent-3-en-2-one
SMILESCOCCN(C/C=C/C(C)=O)C(C)C
InChIInChI=1S/C11H21NO2/c1-10(2)12(8-9-14-4)7-5-6-11(3)13/h5-6,10H,7-9H2,1-4H3/b6-5+
InChIKeyFRIKEDKKFNEFCP-AATRIKPKSA-N
MW199.29 g/mol
LogP1.49
Rot. Bonds7

About (E)-5-[2-methoxyethyl(propan-2-yl)amino]pent-3-en-2-one

(E)-5-[2-methoxyethyl(propan-2-yl)amino]pent-3-en-2-one (PubChem CID 143775785) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (E)-5-[2-methoxyethyl(propan-2-yl)amino]pent-3-en-2-one.

Molecular Properties

Compound Name(E)-5-[2-methoxyethyl(propan-2-yl)amino]pent-3-en-2-one
PubChem CID143775785
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(E)-5-[2-methoxyethyl(propan-2-yl)amino]pent-3-en-2-one
SMILESCOCCN(C/C=C/C(C)=O)C(C)C
InChIInChI=1S/C11H21NO2/c1-10(2)12(8-9-14-4)7-5-6-11(3)13/h5-6,10H,7-9H2,1-4H3/b6-5+
InChIKeyFRIKEDKKFNEFCP-AATRIKPKSA-N
XLogP1.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-5-[2-methoxyethyl(propan-2-yl)amino]pent-3-en-2-one?
The IUPAC name of (E)-5-[2-methoxyethyl(propan-2-yl)amino]pent-3-en-2-one (CID 143775785) is (E)-5-[2-methoxyethyl(propan-2-yl)amino]pent-3-en-2-one.
What is the SMILES notation for (E)-5-[2-methoxyethyl(propan-2-yl)amino]pent-3-en-2-one?
The canonical SMILES for (E)-5-[2-methoxyethyl(propan-2-yl)amino]pent-3-en-2-one is COCCN(C/C=C/C(C)=O)C(C)C.
What is the InChIKey of (E)-5-[2-methoxyethyl(propan-2-yl)amino]pent-3-en-2-one?
The InChIKey is FRIKEDKKFNEFCP-AATRIKPKSA-N. The full InChI is InChI=1S/C11H21NO2/c1-10(2)12(8-9-14-4)7-5-6-11(3)13/h5-6,10H,7-9H2,1-4H3/b6-5+.
What are the key properties of (E)-5-[2-methoxyethyl(propan-2-yl)amino]pent-3-en-2-one?
(E)-5-[2-methoxyethyl(propan-2-yl)amino]pent-3-en-2-one has a molecular weight of 199.29 g/mol, XLogP of 1.49, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[2-methoxyethyl(propan-2-yl)amino]pent-3-en-2-one is sourced from PubChem (CID 143775785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).