(9-amino-6-oxaspiro[3.5]nonan-9-yl)methanol

C9H17NO2 — CID 83905876

IUPAC(9-amino-6-oxaspiro[3.5]nonan-9-yl)methanol
SMILESNC1(CO)CCOCC12CCC2
InChIInChI=1S/C9H17NO2/c10-9(6-11)4-5-12-7-8(9)2-1-3-8/h11H,1-7,10H2
InChIKeyVDBZVWORTNARTK-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.27
Rot. Bonds1

About (9-amino-6-oxaspiro[3.5]nonan-9-yl)methanol

(9-amino-6-oxaspiro[3.5]nonan-9-yl)methanol (PubChem CID 83905876) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (9-amino-6-oxaspiro[3.5]nonan-9-yl)methanol.

Molecular Properties

Compound Name(9-amino-6-oxaspiro[3.5]nonan-9-yl)methanol
PubChem CID83905876
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(9-amino-6-oxaspiro[3.5]nonan-9-yl)methanol
SMILESNC1(CO)CCOCC12CCC2
InChIInChI=1S/C9H17NO2/c10-9(6-11)4-5-12-7-8(9)2-1-3-8/h11H,1-7,10H2
InChIKeyVDBZVWORTNARTK-UHFFFAOYSA-N
XLogP0.27
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (9-amino-6-oxaspiro[3.5]nonan-9-yl)methanol?
The IUPAC name of (9-amino-6-oxaspiro[3.5]nonan-9-yl)methanol (CID 83905876) is (9-amino-6-oxaspiro[3.5]nonan-9-yl)methanol.
What is the SMILES notation for (9-amino-6-oxaspiro[3.5]nonan-9-yl)methanol?
The canonical SMILES for (9-amino-6-oxaspiro[3.5]nonan-9-yl)methanol is NC1(CO)CCOCC12CCC2.
What is the InChIKey of (9-amino-6-oxaspiro[3.5]nonan-9-yl)methanol?
The InChIKey is VDBZVWORTNARTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c10-9(6-11)4-5-12-7-8(9)2-1-3-8/h11H,1-7,10H2.
What are the key properties of (9-amino-6-oxaspiro[3.5]nonan-9-yl)methanol?
(9-amino-6-oxaspiro[3.5]nonan-9-yl)methanol has a molecular weight of 171.24 g/mol, XLogP of 0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9-amino-6-oxaspiro[3.5]nonan-9-yl)methanol is sourced from PubChem (CID 83905876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).