6-(aminomethyl)-1-azaspiro[3.3]heptan-2-one

C7H12N2O — CID 125451195

IUPAC6-(aminomethyl)-1-azaspiro[3.3]heptan-2-one
SMILESNCC1CC2(CC(=O)N2)C1
InChIInChI=1S/C7H12N2O/c8-4-5-1-7(2-5)3-6(10)9-7/h5H,1-4,8H2,(H,9,10)
InChIKeyDOMBOKRFRPORAN-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.39
Rot. Bonds1

About 6-(aminomethyl)-1-azaspiro[3.3]heptan-2-one

6-(aminomethyl)-1-azaspiro[3.3]heptan-2-one (PubChem CID 125451195) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 6-(aminomethyl)-1-azaspiro[3.3]heptan-2-one.

Molecular Properties

Compound Name6-(aminomethyl)-1-azaspiro[3.3]heptan-2-one
PubChem CID125451195
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name6-(aminomethyl)-1-azaspiro[3.3]heptan-2-one
SMILESNCC1CC2(CC(=O)N2)C1
InChIInChI=1S/C7H12N2O/c8-4-5-1-7(2-5)3-6(10)9-7/h5H,1-4,8H2,(H,9,10)
InChIKeyDOMBOKRFRPORAN-UHFFFAOYSA-N
XLogP-0.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-1-azaspiro[3.3]heptan-2-one?
The IUPAC name of 6-(aminomethyl)-1-azaspiro[3.3]heptan-2-one (CID 125451195) is 6-(aminomethyl)-1-azaspiro[3.3]heptan-2-one.
What is the SMILES notation for 6-(aminomethyl)-1-azaspiro[3.3]heptan-2-one?
The canonical SMILES for 6-(aminomethyl)-1-azaspiro[3.3]heptan-2-one is NCC1CC2(CC(=O)N2)C1.
What is the InChIKey of 6-(aminomethyl)-1-azaspiro[3.3]heptan-2-one?
The InChIKey is DOMBOKRFRPORAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c8-4-5-1-7(2-5)3-6(10)9-7/h5H,1-4,8H2,(H,9,10).
What are the key properties of 6-(aminomethyl)-1-azaspiro[3.3]heptan-2-one?
6-(aminomethyl)-1-azaspiro[3.3]heptan-2-one has a molecular weight of 140.19 g/mol, XLogP of -0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-1-azaspiro[3.3]heptan-2-one is sourced from PubChem (CID 125451195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).