3-methyl-5-morpholin-4-ylcyclopentane-1,2-dione

C10H15NO3 — CID 90834393

IUPAC3-methyl-5-morpholin-4-ylcyclopentane-1,2-dione
SMILESCC1CC(N2CCOCC2)C(=O)C1=O
InChIInChI=1S/C10H15NO3/c1-7-6-8(10(13)9(7)12)11-2-4-14-5-3-11/h7-8H,2-6H2,1H3
InChIKeyOKGWDUWHRFFLPY-UHFFFAOYSA-N
MW197.23 g/mol
LogP-0.13
Rot. Bonds1

About 3-methyl-5-morpholin-4-ylcyclopentane-1,2-dione

3-methyl-5-morpholin-4-ylcyclopentane-1,2-dione (PubChem CID 90834393) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 3-methyl-5-morpholin-4-ylcyclopentane-1,2-dione.

Molecular Properties

Compound Name3-methyl-5-morpholin-4-ylcyclopentane-1,2-dione
PubChem CID90834393
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name3-methyl-5-morpholin-4-ylcyclopentane-1,2-dione
SMILESCC1CC(N2CCOCC2)C(=O)C1=O
InChIInChI=1S/C10H15NO3/c1-7-6-8(10(13)9(7)12)11-2-4-14-5-3-11/h7-8H,2-6H2,1H3
InChIKeyOKGWDUWHRFFLPY-UHFFFAOYSA-N
XLogP-0.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-morpholin-4-ylcyclopentane-1,2-dione?
The IUPAC name of 3-methyl-5-morpholin-4-ylcyclopentane-1,2-dione (CID 90834393) is 3-methyl-5-morpholin-4-ylcyclopentane-1,2-dione.
What is the SMILES notation for 3-methyl-5-morpholin-4-ylcyclopentane-1,2-dione?
The canonical SMILES for 3-methyl-5-morpholin-4-ylcyclopentane-1,2-dione is CC1CC(N2CCOCC2)C(=O)C1=O.
What is the InChIKey of 3-methyl-5-morpholin-4-ylcyclopentane-1,2-dione?
The InChIKey is OKGWDUWHRFFLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-7-6-8(10(13)9(7)12)11-2-4-14-5-3-11/h7-8H,2-6H2,1H3.
What are the key properties of 3-methyl-5-morpholin-4-ylcyclopentane-1,2-dione?
3-methyl-5-morpholin-4-ylcyclopentane-1,2-dione has a molecular weight of 197.23 g/mol, XLogP of -0.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-morpholin-4-ylcyclopentane-1,2-dione is sourced from PubChem (CID 90834393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).