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

C11H17NO2 — CID 103339172

IUPAC3-[2-methoxyethyl(prop-2-enyl)amino]cyclopent-2-en-1-one
SMILESC=CCN(CCOC)C1=CC(=O)CC1
InChIInChI=1S/C11H17NO2/c1-3-6-12(7-8-14-2)10-4-5-11(13)9-10/h3,9H,1,4-8H2,2H3
InChIKeyOGHNPRWDFRIULC-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.37
Rot. Bonds6

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

3-[2-methoxyethyl(prop-2-enyl)amino]cyclopent-2-en-1-one (PubChem CID 103339172) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-[2-methoxyethyl(prop-2-enyl)amino]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[2-methoxyethyl(prop-2-enyl)amino]cyclopent-2-en-1-one
PubChem CID103339172
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-[2-methoxyethyl(prop-2-enyl)amino]cyclopent-2-en-1-one
SMILESC=CCN(CCOC)C1=CC(=O)CC1
InChIInChI=1S/C11H17NO2/c1-3-6-12(7-8-14-2)10-4-5-11(13)9-10/h3,9H,1,4-8H2,2H3
InChIKeyOGHNPRWDFRIULC-UHFFFAOYSA-N
XLogP1.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl(prop-2-enyl)amino]cyclopent-2-en-1-one?
The IUPAC name of 3-[2-methoxyethyl(prop-2-enyl)amino]cyclopent-2-en-1-one (CID 103339172) is 3-[2-methoxyethyl(prop-2-enyl)amino]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[2-methoxyethyl(prop-2-enyl)amino]cyclopent-2-en-1-one?
The canonical SMILES for 3-[2-methoxyethyl(prop-2-enyl)amino]cyclopent-2-en-1-one is C=CCN(CCOC)C1=CC(=O)CC1.
What is the InChIKey of 3-[2-methoxyethyl(prop-2-enyl)amino]cyclopent-2-en-1-one?
The InChIKey is OGHNPRWDFRIULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-6-12(7-8-14-2)10-4-5-11(13)9-10/h3,9H,1,4-8H2,2H3.
What are the key properties of 3-[2-methoxyethyl(prop-2-enyl)amino]cyclopent-2-en-1-one?
3-[2-methoxyethyl(prop-2-enyl)amino]cyclopent-2-en-1-one has a molecular weight of 195.26 g/mol, XLogP of 1.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl(prop-2-enyl)amino]cyclopent-2-en-1-one is sourced from PubChem (CID 103339172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).