7-fluoro-2-methyl-2,7-diazaspiro[4.4]nonan-1-one

C8H13FN2O — CID 156737005

IUPAC7-fluoro-2-methyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCN1CCC2(CCN(F)C2)C1=O
InChIInChI=1S/C8H13FN2O/c1-10-4-2-8(7(10)12)3-5-11(9)6-8/h2-6H2,1H3
InChIKeyMSJRPQZZKLLIPT-UHFFFAOYSA-N
MW172.20 g/mol
LogP0.43
Rot. Bonds

About 7-fluoro-2-methyl-2,7-diazaspiro[4.4]nonan-1-one

7-fluoro-2-methyl-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 156737005) has the molecular formula C8H13FN2O and a molecular weight of 172.20 g/mol. Its IUPAC name is 7-fluoro-2-methyl-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name7-fluoro-2-methyl-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID156737005
Molecular FormulaC8H13FN2O
Molecular Weight172.20 g/mol
Exact Mass172.10
IUPAC Name7-fluoro-2-methyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCN1CCC2(CCN(F)C2)C1=O
InChIInChI=1S/C8H13FN2O/c1-10-4-2-8(7(10)12)3-5-11(9)6-8/h2-6H2,1H3
InChIKeyMSJRPQZZKLLIPT-UHFFFAOYSA-N
XLogP0.43
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methyl-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 7-fluoro-2-methyl-2,7-diazaspiro[4.4]nonan-1-one (CID 156737005) is 7-fluoro-2-methyl-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 7-fluoro-2-methyl-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 7-fluoro-2-methyl-2,7-diazaspiro[4.4]nonan-1-one is CN1CCC2(CCN(F)C2)C1=O.
What is the InChIKey of 7-fluoro-2-methyl-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is MSJRPQZZKLLIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2O/c1-10-4-2-8(7(10)12)3-5-11(9)6-8/h2-6H2,1H3.
What are the key properties of 7-fluoro-2-methyl-2,7-diazaspiro[4.4]nonan-1-one?
7-fluoro-2-methyl-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 172.20 g/mol, XLogP of 0.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methyl-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 156737005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).