5-cyclopentyl-10-ethyl-9-oxa-3-azaspiro[5.5]undecane-2,4-dione

C16H25NO3 — CID 115926989

IUPAC5-cyclopentyl-10-ethyl-9-oxa-3-azaspiro[5.5]undecane-2,4-dione
SMILESCCC1CC2(CCO1)CC(=O)NC(=O)C2C1CCCC1
InChIInChI=1S/C16H25NO3/c1-2-12-9-16(7-8-20-12)10-13(18)17-15(19)14(16)11-5-3-4-6-11/h11-12,14H,2-10H2,1H3,(H,17,18,19)
InChIKeyNENUWTSQRWRFCU-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.41
Rot. Bonds2

About 5-cyclopentyl-10-ethyl-9-oxa-3-azaspiro[5.5]undecane-2,4-dione

5-cyclopentyl-10-ethyl-9-oxa-3-azaspiro[5.5]undecane-2,4-dione (PubChem CID 115926989) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 5-cyclopentyl-10-ethyl-9-oxa-3-azaspiro[5.5]undecane-2,4-dione.

Molecular Properties

Compound Name5-cyclopentyl-10-ethyl-9-oxa-3-azaspiro[5.5]undecane-2,4-dione
PubChem CID115926989
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name5-cyclopentyl-10-ethyl-9-oxa-3-azaspiro[5.5]undecane-2,4-dione
SMILESCCC1CC2(CCO1)CC(=O)NC(=O)C2C1CCCC1
InChIInChI=1S/C16H25NO3/c1-2-12-9-16(7-8-20-12)10-13(18)17-15(19)14(16)11-5-3-4-6-11/h11-12,14H,2-10H2,1H3,(H,17,18,19)
InChIKeyNENUWTSQRWRFCU-UHFFFAOYSA-N
XLogP2.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-10-ethyl-9-oxa-3-azaspiro[5.5]undecane-2,4-dione?
The IUPAC name of 5-cyclopentyl-10-ethyl-9-oxa-3-azaspiro[5.5]undecane-2,4-dione (CID 115926989) is 5-cyclopentyl-10-ethyl-9-oxa-3-azaspiro[5.5]undecane-2,4-dione.
What is the SMILES notation for 5-cyclopentyl-10-ethyl-9-oxa-3-azaspiro[5.5]undecane-2,4-dione?
The canonical SMILES for 5-cyclopentyl-10-ethyl-9-oxa-3-azaspiro[5.5]undecane-2,4-dione is CCC1CC2(CCO1)CC(=O)NC(=O)C2C1CCCC1.
What is the InChIKey of 5-cyclopentyl-10-ethyl-9-oxa-3-azaspiro[5.5]undecane-2,4-dione?
The InChIKey is NENUWTSQRWRFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-2-12-9-16(7-8-20-12)10-13(18)17-15(19)14(16)11-5-3-4-6-11/h11-12,14H,2-10H2,1H3,(H,17,18,19).
What are the key properties of 5-cyclopentyl-10-ethyl-9-oxa-3-azaspiro[5.5]undecane-2,4-dione?
5-cyclopentyl-10-ethyl-9-oxa-3-azaspiro[5.5]undecane-2,4-dione has a molecular weight of 279.38 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-10-ethyl-9-oxa-3-azaspiro[5.5]undecane-2,4-dione is sourced from PubChem (CID 115926989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).