(4R)-2,5-diazaspiro[3.4]octan-3-one

C6H10N2O — CID 97170263

IUPAC(4R)-2,5-diazaspiro[3.4]octan-3-one
SMILESO=C1NC[C@]12CCCN2
InChIInChI=1S/C6H10N2O/c9-5-6(4-7-5)2-1-3-8-6/h8H,1-4H2,(H,7,9)/t6-/m1/s1
InChIKeyPJSRRPBVTJKYEP-ZCFIWIBFSA-N
MW126.16 g/mol
LogP-0.76
Rot. Bonds

About (4R)-2,5-diazaspiro[3.4]octan-3-one

(4R)-2,5-diazaspiro[3.4]octan-3-one (PubChem CID 97170263) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is (4R)-2,5-diazaspiro[3.4]octan-3-one.

Molecular Properties

Compound Name(4R)-2,5-diazaspiro[3.4]octan-3-one
PubChem CID97170263
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name(4R)-2,5-diazaspiro[3.4]octan-3-one
SMILESO=C1NC[C@]12CCCN2
InChIInChI=1S/C6H10N2O/c9-5-6(4-7-5)2-1-3-8-6/h8H,1-4H2,(H,7,9)/t6-/m1/s1
InChIKeyPJSRRPBVTJKYEP-ZCFIWIBFSA-N
XLogP-0.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-2,5-diazaspiro[3.4]octan-3-one?
The IUPAC name of (4R)-2,5-diazaspiro[3.4]octan-3-one (CID 97170263) is (4R)-2,5-diazaspiro[3.4]octan-3-one.
What is the SMILES notation for (4R)-2,5-diazaspiro[3.4]octan-3-one?
The canonical SMILES for (4R)-2,5-diazaspiro[3.4]octan-3-one is O=C1NC[C@]12CCCN2.
What is the InChIKey of (4R)-2,5-diazaspiro[3.4]octan-3-one?
The InChIKey is PJSRRPBVTJKYEP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H10N2O/c9-5-6(4-7-5)2-1-3-8-6/h8H,1-4H2,(H,7,9)/t6-/m1/s1.
What are the key properties of (4R)-2,5-diazaspiro[3.4]octan-3-one?
(4R)-2,5-diazaspiro[3.4]octan-3-one has a molecular weight of 126.16 g/mol, XLogP of -0.76, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,5-diazaspiro[3.4]octan-3-one is sourced from PubChem (CID 97170263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).