propyl 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)acetate

C14H21NO4 — CID 4501001

IUPACpropyl 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)acetate
SMILESCCCOC(=O)CN1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C14H21NO4/c1-2-7-19-13(18)10-15-11(16)8-14(9-12(15)17)5-3-4-6-14/h2-10H2,1H3
InChIKeyHSJWJPRDCDMFRG-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.65
Rot. Bonds4

About propyl 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)acetate

propyl 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)acetate (PubChem CID 4501001) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is propyl 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)acetate.

Molecular Properties

Compound Namepropyl 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)acetate
PubChem CID4501001
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Namepropyl 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)acetate
SMILESCCCOC(=O)CN1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C14H21NO4/c1-2-7-19-13(18)10-15-11(16)8-14(9-12(15)17)5-3-4-6-14/h2-10H2,1H3
InChIKeyHSJWJPRDCDMFRG-UHFFFAOYSA-N
XLogP1.65
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propyl 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)acetate?
The IUPAC name of propyl 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)acetate (CID 4501001) is propyl 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)acetate.
What is the SMILES notation for propyl 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)acetate?
The canonical SMILES for propyl 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)acetate is CCCOC(=O)CN1C(=O)CC2(CCCC2)CC1=O.
What is the InChIKey of propyl 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)acetate?
The InChIKey is HSJWJPRDCDMFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-2-7-19-13(18)10-15-11(16)8-14(9-12(15)17)5-3-4-6-14/h2-10H2,1H3.
What are the key properties of propyl 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)acetate?
propyl 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)acetate has a molecular weight of 267.32 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)acetate is sourced from PubChem (CID 4501001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).