6-[(1-methylazetidin-3-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one

C10H17N3O — CID 130908995

IUPAC6-[(1-methylazetidin-3-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one
SMILESCN1CC(CN2CNC3(CC3)C2=O)C1
InChIInChI=1S/C10H17N3O/c1-12-4-8(5-12)6-13-7-11-10(2-3-10)9(13)14/h8,11H,2-7H2,1H3
InChIKeyNRQKPIRCFOFFJX-UHFFFAOYSA-N
MW195.27 g/mol
LogP-0.53
Rot. Bonds2

About 6-[(1-methylazetidin-3-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one

6-[(1-methylazetidin-3-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 130908995) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 6-[(1-methylazetidin-3-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-[(1-methylazetidin-3-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID130908995
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name6-[(1-methylazetidin-3-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one
SMILESCN1CC(CN2CNC3(CC3)C2=O)C1
InChIInChI=1S/C10H17N3O/c1-12-4-8(5-12)6-13-7-11-10(2-3-10)9(13)14/h8,11H,2-7H2,1H3
InChIKeyNRQKPIRCFOFFJX-UHFFFAOYSA-N
XLogP-0.53
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-methylazetidin-3-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-[(1-methylazetidin-3-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one (CID 130908995) is 6-[(1-methylazetidin-3-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-[(1-methylazetidin-3-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-[(1-methylazetidin-3-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one is CN1CC(CN2CNC3(CC3)C2=O)C1.
What is the InChIKey of 6-[(1-methylazetidin-3-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is NRQKPIRCFOFFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-12-4-8(5-12)6-13-7-11-10(2-3-10)9(13)14/h8,11H,2-7H2,1H3.
What are the key properties of 6-[(1-methylazetidin-3-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one?
6-[(1-methylazetidin-3-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 195.27 g/mol, XLogP of -0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methylazetidin-3-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 130908995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).