5-methyl-6-propyl-4,6-diazaspiro[2.4]heptan-7-one

C9H16N2O — CID 83241893

IUPAC5-methyl-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCCN1C(=O)C2(CC2)NC1C
InChIInChI=1S/C9H16N2O/c1-3-6-11-7(2)10-9(4-5-9)8(11)12/h7,10H,3-6H2,1-2H3
InChIKeyGNIQGQRJTNMEQJ-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.71
Rot. Bonds2

About 5-methyl-6-propyl-4,6-diazaspiro[2.4]heptan-7-one

5-methyl-6-propyl-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83241893) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 5-methyl-6-propyl-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name5-methyl-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83241893
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name5-methyl-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCCN1C(=O)C2(CC2)NC1C
InChIInChI=1S/C9H16N2O/c1-3-6-11-7(2)10-9(4-5-9)8(11)12/h7,10H,3-6H2,1-2H3
InChIKeyGNIQGQRJTNMEQJ-UHFFFAOYSA-N
XLogP0.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-propyl-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 5-methyl-6-propyl-4,6-diazaspiro[2.4]heptan-7-one (CID 83241893) is 5-methyl-6-propyl-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 5-methyl-6-propyl-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 5-methyl-6-propyl-4,6-diazaspiro[2.4]heptan-7-one is CCCN1C(=O)C2(CC2)NC1C.
What is the InChIKey of 5-methyl-6-propyl-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is GNIQGQRJTNMEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-6-11-7(2)10-9(4-5-9)8(11)12/h7,10H,3-6H2,1-2H3.
What are the key properties of 5-methyl-6-propyl-4,6-diazaspiro[2.4]heptan-7-one?
5-methyl-6-propyl-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 168.24 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-propyl-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83241893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).