3-(3-methylmorpholin-4-yl)cyclopent-2-en-1-one

C10H15NO2 — CID 104787713

IUPAC3-(3-methylmorpholin-4-yl)cyclopent-2-en-1-one
SMILESCC1COCCN1C1=CC(=O)CC1
InChIInChI=1S/C10H15NO2/c1-8-7-13-5-4-11(8)9-2-3-10(12)6-9/h6,8H,2-5,7H2,1H3
InChIKeyISEUFFDWNJFJNE-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.95
Rot. Bonds1

About 3-(3-methylmorpholin-4-yl)cyclopent-2-en-1-one

3-(3-methylmorpholin-4-yl)cyclopent-2-en-1-one (PubChem CID 104787713) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-(3-methylmorpholin-4-yl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(3-methylmorpholin-4-yl)cyclopent-2-en-1-one
PubChem CID104787713
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name3-(3-methylmorpholin-4-yl)cyclopent-2-en-1-one
SMILESCC1COCCN1C1=CC(=O)CC1
InChIInChI=1S/C10H15NO2/c1-8-7-13-5-4-11(8)9-2-3-10(12)6-9/h6,8H,2-5,7H2,1H3
InChIKeyISEUFFDWNJFJNE-UHFFFAOYSA-N
XLogP0.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylmorpholin-4-yl)cyclopent-2-en-1-one?
The IUPAC name of 3-(3-methylmorpholin-4-yl)cyclopent-2-en-1-one (CID 104787713) is 3-(3-methylmorpholin-4-yl)cyclopent-2-en-1-one.
What is the SMILES notation for 3-(3-methylmorpholin-4-yl)cyclopent-2-en-1-one?
The canonical SMILES for 3-(3-methylmorpholin-4-yl)cyclopent-2-en-1-one is CC1COCCN1C1=CC(=O)CC1.
What is the InChIKey of 3-(3-methylmorpholin-4-yl)cyclopent-2-en-1-one?
The InChIKey is ISEUFFDWNJFJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-8-7-13-5-4-11(8)9-2-3-10(12)6-9/h6,8H,2-5,7H2,1H3.
What are the key properties of 3-(3-methylmorpholin-4-yl)cyclopent-2-en-1-one?
3-(3-methylmorpholin-4-yl)cyclopent-2-en-1-one has a molecular weight of 181.24 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylmorpholin-4-yl)cyclopent-2-en-1-one is sourced from PubChem (CID 104787713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).