7-(aminomethyl)-1-oxa-3-azaspiro[4.5]decan-2-one

C9H16N2O2 — CID 135266691

IUPAC7-(aminomethyl)-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESNCC1CCCC2(CNC(=O)O2)C1
InChIInChI=1S/C9H16N2O2/c10-5-7-2-1-3-9(4-7)6-11-8(12)13-9/h7H,1-6,10H2,(H,11,12)
InChIKeyXHJOPZNADWTMFE-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.61
Rot. Bonds1

About 7-(aminomethyl)-1-oxa-3-azaspiro[4.5]decan-2-one

7-(aminomethyl)-1-oxa-3-azaspiro[4.5]decan-2-one (PubChem CID 135266691) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 7-(aminomethyl)-1-oxa-3-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name7-(aminomethyl)-1-oxa-3-azaspiro[4.5]decan-2-one
PubChem CID135266691
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name7-(aminomethyl)-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESNCC1CCCC2(CNC(=O)O2)C1
InChIInChI=1S/C9H16N2O2/c10-5-7-2-1-3-9(4-7)6-11-8(12)13-9/h7H,1-6,10H2,(H,11,12)
InChIKeyXHJOPZNADWTMFE-UHFFFAOYSA-N
XLogP0.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(aminomethyl)-1-oxa-3-azaspiro[4.5]decan-2-one?
The IUPAC name of 7-(aminomethyl)-1-oxa-3-azaspiro[4.5]decan-2-one (CID 135266691) is 7-(aminomethyl)-1-oxa-3-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 7-(aminomethyl)-1-oxa-3-azaspiro[4.5]decan-2-one?
The canonical SMILES for 7-(aminomethyl)-1-oxa-3-azaspiro[4.5]decan-2-one is NCC1CCCC2(CNC(=O)O2)C1.
What is the InChIKey of 7-(aminomethyl)-1-oxa-3-azaspiro[4.5]decan-2-one?
The InChIKey is XHJOPZNADWTMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c10-5-7-2-1-3-9(4-7)6-11-8(12)13-9/h7H,1-6,10H2,(H,11,12).
What are the key properties of 7-(aminomethyl)-1-oxa-3-azaspiro[4.5]decan-2-one?
7-(aminomethyl)-1-oxa-3-azaspiro[4.5]decan-2-one has a molecular weight of 184.24 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(aminomethyl)-1-oxa-3-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 135266691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).