4-ethyl-8-(1-fluorocyclopropanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one

C14H21FN2O4 — CID 131684078

IUPAC4-ethyl-8-(1-fluorocyclopropanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
SMILESCCN1CC2(COCCN(C(=O)C3(F)CC3)C2)OCC1=O
InChIInChI=1S/C14H21FN2O4/c1-2-16-8-13(21-7-11(16)18)9-17(5-6-20-10-13)12(19)14(15)3-4-14/h2-10H2,1H3
InChIKeyIDUVPVQMNIODJU-UHFFFAOYSA-N
MW300.33 g/mol
LogP-0.04
Rot. Bonds2

About 4-ethyl-8-(1-fluorocyclopropanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one

4-ethyl-8-(1-fluorocyclopropanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one (PubChem CID 131684078) has the molecular formula C14H21FN2O4 and a molecular weight of 300.33 g/mol. Its IUPAC name is 4-ethyl-8-(1-fluorocyclopropanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one.

Molecular Properties

Compound Name4-ethyl-8-(1-fluorocyclopropanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
PubChem CID131684078
Molecular FormulaC14H21FN2O4
Molecular Weight300.33 g/mol
Exact Mass300.15
IUPAC Name4-ethyl-8-(1-fluorocyclopropanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
SMILESCCN1CC2(COCCN(C(=O)C3(F)CC3)C2)OCC1=O
InChIInChI=1S/C14H21FN2O4/c1-2-16-8-13(21-7-11(16)18)9-17(5-6-20-10-13)12(19)14(15)3-4-14/h2-10H2,1H3
InChIKeyIDUVPVQMNIODJU-UHFFFAOYSA-N
XLogP-0.04
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-8-(1-fluorocyclopropanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
The IUPAC name of 4-ethyl-8-(1-fluorocyclopropanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one (CID 131684078) is 4-ethyl-8-(1-fluorocyclopropanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one.
What is the SMILES notation for 4-ethyl-8-(1-fluorocyclopropanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
The canonical SMILES for 4-ethyl-8-(1-fluorocyclopropanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one is CCN1CC2(COCCN(C(=O)C3(F)CC3)C2)OCC1=O.
What is the InChIKey of 4-ethyl-8-(1-fluorocyclopropanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
The InChIKey is IDUVPVQMNIODJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O4/c1-2-16-8-13(21-7-11(16)18)9-17(5-6-20-10-13)12(19)14(15)3-4-14/h2-10H2,1H3.
What are the key properties of 4-ethyl-8-(1-fluorocyclopropanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
4-ethyl-8-(1-fluorocyclopropanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one has a molecular weight of 300.33 g/mol, XLogP of -0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-8-(1-fluorocyclopropanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one is sourced from PubChem (CID 131684078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).