1-(3-fluoropropyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione

C13H21FN2O2 — CID 81113725

IUPAC1-(3-fluoropropyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC1NC(=O)C2(CCCCC2)N(CCCF)C1=O
InChIInChI=1S/C13H21FN2O2/c1-10-11(17)16(9-5-8-14)13(12(18)15-10)6-3-2-4-7-13/h10H,2-9H2,1H3,(H,15,18)
InChIKeyNXVWHIRCYGPWQW-UHFFFAOYSA-N
MW256.32 g/mol
LogP1.40
Rot. Bonds3

About 1-(3-fluoropropyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione

1-(3-fluoropropyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 81113725) has the molecular formula C13H21FN2O2 and a molecular weight of 256.32 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name1-(3-fluoropropyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID81113725
Molecular FormulaC13H21FN2O2
Molecular Weight256.32 g/mol
Exact Mass256.16
IUPAC Name1-(3-fluoropropyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC1NC(=O)C2(CCCCC2)N(CCCF)C1=O
InChIInChI=1S/C13H21FN2O2/c1-10-11(17)16(9-5-8-14)13(12(18)15-10)6-3-2-4-7-13/h10H,2-9H2,1H3,(H,15,18)
InChIKeyNXVWHIRCYGPWQW-UHFFFAOYSA-N
XLogP1.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 1-(3-fluoropropyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 81113725) is 1-(3-fluoropropyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 1-(3-fluoropropyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 1-(3-fluoropropyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione is CC1NC(=O)C2(CCCCC2)N(CCCF)C1=O.
What is the InChIKey of 1-(3-fluoropropyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is NXVWHIRCYGPWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O2/c1-10-11(17)16(9-5-8-14)13(12(18)15-10)6-3-2-4-7-13/h10H,2-9H2,1H3,(H,15,18).
What are the key properties of 1-(3-fluoropropyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
1-(3-fluoropropyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 256.32 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 81113725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).