3-fluoro-7-methyl-1,7-diazaspiro[4.4]nonan-6-one

C8H13FN2O — CID 84717445

IUPAC3-fluoro-7-methyl-1,7-diazaspiro[4.4]nonan-6-one
SMILESCN1CCC2(CC(F)CN2)C1=O
InChIInChI=1S/C8H13FN2O/c1-11-3-2-8(7(11)12)4-6(9)5-10-8/h6,10H,2-5H2,1H3
InChIKeyJVNDXQRDRUIVIP-UHFFFAOYSA-N
MW172.20 g/mol
LogP-0.08
Rot. Bonds

About 3-fluoro-7-methyl-1,7-diazaspiro[4.4]nonan-6-one

3-fluoro-7-methyl-1,7-diazaspiro[4.4]nonan-6-one (PubChem CID 84717445) has the molecular formula C8H13FN2O and a molecular weight of 172.20 g/mol. Its IUPAC name is 3-fluoro-7-methyl-1,7-diazaspiro[4.4]nonan-6-one.

Molecular Properties

Compound Name3-fluoro-7-methyl-1,7-diazaspiro[4.4]nonan-6-one
PubChem CID84717445
Molecular FormulaC8H13FN2O
Molecular Weight172.20 g/mol
Exact Mass172.10
IUPAC Name3-fluoro-7-methyl-1,7-diazaspiro[4.4]nonan-6-one
SMILESCN1CCC2(CC(F)CN2)C1=O
InChIInChI=1S/C8H13FN2O/c1-11-3-2-8(7(11)12)4-6(9)5-10-8/h6,10H,2-5H2,1H3
InChIKeyJVNDXQRDRUIVIP-UHFFFAOYSA-N
XLogP-0.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-7-methyl-1,7-diazaspiro[4.4]nonan-6-one?
The IUPAC name of 3-fluoro-7-methyl-1,7-diazaspiro[4.4]nonan-6-one (CID 84717445) is 3-fluoro-7-methyl-1,7-diazaspiro[4.4]nonan-6-one.
What is the SMILES notation for 3-fluoro-7-methyl-1,7-diazaspiro[4.4]nonan-6-one?
The canonical SMILES for 3-fluoro-7-methyl-1,7-diazaspiro[4.4]nonan-6-one is CN1CCC2(CC(F)CN2)C1=O.
What is the InChIKey of 3-fluoro-7-methyl-1,7-diazaspiro[4.4]nonan-6-one?
The InChIKey is JVNDXQRDRUIVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2O/c1-11-3-2-8(7(11)12)4-6(9)5-10-8/h6,10H,2-5H2,1H3.
What are the key properties of 3-fluoro-7-methyl-1,7-diazaspiro[4.4]nonan-6-one?
3-fluoro-7-methyl-1,7-diazaspiro[4.4]nonan-6-one has a molecular weight of 172.20 g/mol, XLogP of -0.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-7-methyl-1,7-diazaspiro[4.4]nonan-6-one is sourced from PubChem (CID 84717445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).