1-[(5S)-2,7-diazaspiro[4.4]nonan-2-yl]-3-fluoropropan-1-one

C10H17FN2O — CID 171815448

IUPAC1-[(5S)-2,7-diazaspiro[4.4]nonan-2-yl]-3-fluoropropan-1-one
SMILESO=C(CCF)N1CC[C@]2(CCNC2)C1
InChIInChI=1S/C10H17FN2O/c11-4-1-9(14)13-6-3-10(8-13)2-5-12-7-10/h12H,1-8H2/t10-/m0/s1
InChIKeyZTEWPTUDJOOQFC-JTQLQIEISA-N
MW200.26 g/mol
LogP0.56
Rot. Bonds2

About 1-[(5S)-2,7-diazaspiro[4.4]nonan-2-yl]-3-fluoropropan-1-one

1-[(5S)-2,7-diazaspiro[4.4]nonan-2-yl]-3-fluoropropan-1-one (PubChem CID 171815448) has the molecular formula C10H17FN2O and a molecular weight of 200.26 g/mol. Its IUPAC name is 1-[(5S)-2,7-diazaspiro[4.4]nonan-2-yl]-3-fluoropropan-1-one.

Molecular Properties

Compound Name1-[(5S)-2,7-diazaspiro[4.4]nonan-2-yl]-3-fluoropropan-1-one
PubChem CID171815448
Molecular FormulaC10H17FN2O
Molecular Weight200.26 g/mol
Exact Mass200.13
IUPAC Name1-[(5S)-2,7-diazaspiro[4.4]nonan-2-yl]-3-fluoropropan-1-one
SMILESO=C(CCF)N1CC[C@]2(CCNC2)C1
InChIInChI=1S/C10H17FN2O/c11-4-1-9(14)13-6-3-10(8-13)2-5-12-7-10/h12H,1-8H2/t10-/m0/s1
InChIKeyZTEWPTUDJOOQFC-JTQLQIEISA-N
XLogP0.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(5S)-2,7-diazaspiro[4.4]nonan-2-yl]-3-fluoropropan-1-one?
The IUPAC name of 1-[(5S)-2,7-diazaspiro[4.4]nonan-2-yl]-3-fluoropropan-1-one (CID 171815448) is 1-[(5S)-2,7-diazaspiro[4.4]nonan-2-yl]-3-fluoropropan-1-one.
What is the SMILES notation for 1-[(5S)-2,7-diazaspiro[4.4]nonan-2-yl]-3-fluoropropan-1-one?
The canonical SMILES for 1-[(5S)-2,7-diazaspiro[4.4]nonan-2-yl]-3-fluoropropan-1-one is O=C(CCF)N1CC[C@]2(CCNC2)C1.
What is the InChIKey of 1-[(5S)-2,7-diazaspiro[4.4]nonan-2-yl]-3-fluoropropan-1-one?
The InChIKey is ZTEWPTUDJOOQFC-JTQLQIEISA-N. The full InChI is InChI=1S/C10H17FN2O/c11-4-1-9(14)13-6-3-10(8-13)2-5-12-7-10/h12H,1-8H2/t10-/m0/s1.
What are the key properties of 1-[(5S)-2,7-diazaspiro[4.4]nonan-2-yl]-3-fluoropropan-1-one?
1-[(5S)-2,7-diazaspiro[4.4]nonan-2-yl]-3-fluoropropan-1-one has a molecular weight of 200.26 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5S)-2,7-diazaspiro[4.4]nonan-2-yl]-3-fluoropropan-1-one is sourced from PubChem (CID 171815448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).