3-[2-methoxyethyl(methyl)amino]cyclopent-2-en-1-one

C9H15NO2 — CID 104787772

IUPAC3-[2-methoxyethyl(methyl)amino]cyclopent-2-en-1-one
SMILESCOCCN(C)C1=CC(=O)CC1
InChIInChI=1S/C9H15NO2/c1-10(5-6-12-2)8-3-4-9(11)7-8/h7H,3-6H2,1-2H3
InChIKeySPCDJNAPZULKDY-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.81
Rot. Bonds4

About 3-[2-methoxyethyl(methyl)amino]cyclopent-2-en-1-one

3-[2-methoxyethyl(methyl)amino]cyclopent-2-en-1-one (PubChem CID 104787772) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 3-[2-methoxyethyl(methyl)amino]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[2-methoxyethyl(methyl)amino]cyclopent-2-en-1-one
PubChem CID104787772
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name3-[2-methoxyethyl(methyl)amino]cyclopent-2-en-1-one
SMILESCOCCN(C)C1=CC(=O)CC1
InChIInChI=1S/C9H15NO2/c1-10(5-6-12-2)8-3-4-9(11)7-8/h7H,3-6H2,1-2H3
InChIKeySPCDJNAPZULKDY-UHFFFAOYSA-N
XLogP0.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl(methyl)amino]cyclopent-2-en-1-one?
The IUPAC name of 3-[2-methoxyethyl(methyl)amino]cyclopent-2-en-1-one (CID 104787772) is 3-[2-methoxyethyl(methyl)amino]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[2-methoxyethyl(methyl)amino]cyclopent-2-en-1-one?
The canonical SMILES for 3-[2-methoxyethyl(methyl)amino]cyclopent-2-en-1-one is COCCN(C)C1=CC(=O)CC1.
What is the InChIKey of 3-[2-methoxyethyl(methyl)amino]cyclopent-2-en-1-one?
The InChIKey is SPCDJNAPZULKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-10(5-6-12-2)8-3-4-9(11)7-8/h7H,3-6H2,1-2H3.
What are the key properties of 3-[2-methoxyethyl(methyl)amino]cyclopent-2-en-1-one?
3-[2-methoxyethyl(methyl)amino]cyclopent-2-en-1-one has a molecular weight of 169.22 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl(methyl)amino]cyclopent-2-en-1-one is sourced from PubChem (CID 104787772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).