(4R)-1,6-diazaspiro[3.3]heptan-7-one

C5H8N2O — CID 171035437

IUPAC(4R)-1,6-diazaspiro[3.3]heptan-7-one
SMILESO=C1NC[C@]12CCN2
InChIInChI=1S/C5H8N2O/c8-4-5(3-6-4)1-2-7-5/h7H,1-3H2,(H,6,8)/t5-/m1/s1
InChIKeyWGTJNPSBFKFHHL-RXMQYKEDSA-N
MW112.13 g/mol
LogP-1.15
Rot. Bonds

About (4R)-1,6-diazaspiro[3.3]heptan-7-one

(4R)-1,6-diazaspiro[3.3]heptan-7-one (PubChem CID 171035437) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is (4R)-1,6-diazaspiro[3.3]heptan-7-one.

Molecular Properties

Compound Name(4R)-1,6-diazaspiro[3.3]heptan-7-one
PubChem CID171035437
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name(4R)-1,6-diazaspiro[3.3]heptan-7-one
SMILESO=C1NC[C@]12CCN2
InChIInChI=1S/C5H8N2O/c8-4-5(3-6-4)1-2-7-5/h7H,1-3H2,(H,6,8)/t5-/m1/s1
InChIKeyWGTJNPSBFKFHHL-RXMQYKEDSA-N
XLogP-1.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-1,6-diazaspiro[3.3]heptan-7-one?
The IUPAC name of (4R)-1,6-diazaspiro[3.3]heptan-7-one (CID 171035437) is (4R)-1,6-diazaspiro[3.3]heptan-7-one.
What is the SMILES notation for (4R)-1,6-diazaspiro[3.3]heptan-7-one?
The canonical SMILES for (4R)-1,6-diazaspiro[3.3]heptan-7-one is O=C1NC[C@]12CCN2.
What is the InChIKey of (4R)-1,6-diazaspiro[3.3]heptan-7-one?
The InChIKey is WGTJNPSBFKFHHL-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H8N2O/c8-4-5(3-6-4)1-2-7-5/h7H,1-3H2,(H,6,8)/t5-/m1/s1.
What are the key properties of (4R)-1,6-diazaspiro[3.3]heptan-7-one?
(4R)-1,6-diazaspiro[3.3]heptan-7-one has a molecular weight of 112.13 g/mol, XLogP of -1.15, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1,6-diazaspiro[3.3]heptan-7-one is sourced from PubChem (CID 171035437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).