7-methyl-4,7-diazaspiro[2.5]octan-6-one

C7H12N2O — CID 170915963

IUPAC7-methyl-4,7-diazaspiro[2.5]octan-6-one
SMILESCN1CC2(CC2)NCC1=O
InChIInChI=1S/C7H12N2O/c1-9-5-7(2-3-7)8-4-6(9)10/h8H,2-5H2,1H3
InChIKeyULRTWNFMVRYUBN-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.42
Rot. Bonds

About 7-methyl-4,7-diazaspiro[2.5]octan-6-one

7-methyl-4,7-diazaspiro[2.5]octan-6-one (PubChem CID 170915963) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 7-methyl-4,7-diazaspiro[2.5]octan-6-one.

Molecular Properties

Compound Name7-methyl-4,7-diazaspiro[2.5]octan-6-one
PubChem CID170915963
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name7-methyl-4,7-diazaspiro[2.5]octan-6-one
SMILESCN1CC2(CC2)NCC1=O
InChIInChI=1S/C7H12N2O/c1-9-5-7(2-3-7)8-4-6(9)10/h8H,2-5H2,1H3
InChIKeyULRTWNFMVRYUBN-UHFFFAOYSA-N
XLogP-0.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4,7-diazaspiro[2.5]octan-6-one?
The IUPAC name of 7-methyl-4,7-diazaspiro[2.5]octan-6-one (CID 170915963) is 7-methyl-4,7-diazaspiro[2.5]octan-6-one.
What is the SMILES notation for 7-methyl-4,7-diazaspiro[2.5]octan-6-one?
The canonical SMILES for 7-methyl-4,7-diazaspiro[2.5]octan-6-one is CN1CC2(CC2)NCC1=O.
What is the InChIKey of 7-methyl-4,7-diazaspiro[2.5]octan-6-one?
The InChIKey is ULRTWNFMVRYUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-9-5-7(2-3-7)8-4-6(9)10/h8H,2-5H2,1H3.
What are the key properties of 7-methyl-4,7-diazaspiro[2.5]octan-6-one?
7-methyl-4,7-diazaspiro[2.5]octan-6-one has a molecular weight of 140.19 g/mol, XLogP of -0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4,7-diazaspiro[2.5]octan-6-one is sourced from PubChem (CID 170915963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).