9-(aminomethyl)spiro[4.5]decan-8-one

C11H19NO — CID 86775798

IUPAC9-(aminomethyl)spiro[4.5]decan-8-one
SMILESNCC1CC2(CCCC2)CCC1=O
InChIInChI=1S/C11H19NO/c12-8-9-7-11(4-1-2-5-11)6-3-10(9)13/h9H,1-8,12H2
InChIKeyHRVFPQQHCRNCCG-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.87
Rot. Bonds1

About 9-(aminomethyl)spiro[4.5]decan-8-one

9-(aminomethyl)spiro[4.5]decan-8-one (PubChem CID 86775798) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 9-(aminomethyl)spiro[4.5]decan-8-one.

Molecular Properties

Compound Name9-(aminomethyl)spiro[4.5]decan-8-one
PubChem CID86775798
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name9-(aminomethyl)spiro[4.5]decan-8-one
SMILESNCC1CC2(CCCC2)CCC1=O
InChIInChI=1S/C11H19NO/c12-8-9-7-11(4-1-2-5-11)6-3-10(9)13/h9H,1-8,12H2
InChIKeyHRVFPQQHCRNCCG-UHFFFAOYSA-N
XLogP1.87
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(aminomethyl)spiro[4.5]decan-8-one?
The IUPAC name of 9-(aminomethyl)spiro[4.5]decan-8-one (CID 86775798) is 9-(aminomethyl)spiro[4.5]decan-8-one.
What is the SMILES notation for 9-(aminomethyl)spiro[4.5]decan-8-one?
The canonical SMILES for 9-(aminomethyl)spiro[4.5]decan-8-one is NCC1CC2(CCCC2)CCC1=O.
What is the InChIKey of 9-(aminomethyl)spiro[4.5]decan-8-one?
The InChIKey is HRVFPQQHCRNCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c12-8-9-7-11(4-1-2-5-11)6-3-10(9)13/h9H,1-8,12H2.
What are the key properties of 9-(aminomethyl)spiro[4.5]decan-8-one?
9-(aminomethyl)spiro[4.5]decan-8-one has a molecular weight of 181.28 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(aminomethyl)spiro[4.5]decan-8-one is sourced from PubChem (CID 86775798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).