2-hydroxy-1-(3-propan-2-yl-6-azaspiro[4.5]decan-6-yl)ethanone

C14H25NO2 — CID 129088275

IUPAC2-hydroxy-1-(3-propan-2-yl-6-azaspiro[4.5]decan-6-yl)ethanone
SMILESCC(C)C1CCC2(CCCCN2C(=O)CO)C1
InChIInChI=1S/C14H25NO2/c1-11(2)12-5-7-14(9-12)6-3-4-8-15(14)13(17)10-16/h11-12,16H,3-10H2,1-2H3
InChIKeyTWYDYQIGKSHBJI-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.19
Rot. Bonds2

About 2-hydroxy-1-(3-propan-2-yl-6-azaspiro[4.5]decan-6-yl)ethanone

2-hydroxy-1-(3-propan-2-yl-6-azaspiro[4.5]decan-6-yl)ethanone (PubChem CID 129088275) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-hydroxy-1-(3-propan-2-yl-6-azaspiro[4.5]decan-6-yl)ethanone.

Molecular Properties

Compound Name2-hydroxy-1-(3-propan-2-yl-6-azaspiro[4.5]decan-6-yl)ethanone
PubChem CID129088275
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-hydroxy-1-(3-propan-2-yl-6-azaspiro[4.5]decan-6-yl)ethanone
SMILESCC(C)C1CCC2(CCCCN2C(=O)CO)C1
InChIInChI=1S/C14H25NO2/c1-11(2)12-5-7-14(9-12)6-3-4-8-15(14)13(17)10-16/h11-12,16H,3-10H2,1-2H3
InChIKeyTWYDYQIGKSHBJI-UHFFFAOYSA-N
XLogP2.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(3-propan-2-yl-6-azaspiro[4.5]decan-6-yl)ethanone?
The IUPAC name of 2-hydroxy-1-(3-propan-2-yl-6-azaspiro[4.5]decan-6-yl)ethanone (CID 129088275) is 2-hydroxy-1-(3-propan-2-yl-6-azaspiro[4.5]decan-6-yl)ethanone.
What is the SMILES notation for 2-hydroxy-1-(3-propan-2-yl-6-azaspiro[4.5]decan-6-yl)ethanone?
The canonical SMILES for 2-hydroxy-1-(3-propan-2-yl-6-azaspiro[4.5]decan-6-yl)ethanone is CC(C)C1CCC2(CCCCN2C(=O)CO)C1.
What is the InChIKey of 2-hydroxy-1-(3-propan-2-yl-6-azaspiro[4.5]decan-6-yl)ethanone?
The InChIKey is TWYDYQIGKSHBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-11(2)12-5-7-14(9-12)6-3-4-8-15(14)13(17)10-16/h11-12,16H,3-10H2,1-2H3.
What are the key properties of 2-hydroxy-1-(3-propan-2-yl-6-azaspiro[4.5]decan-6-yl)ethanone?
2-hydroxy-1-(3-propan-2-yl-6-azaspiro[4.5]decan-6-yl)ethanone has a molecular weight of 239.36 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(3-propan-2-yl-6-azaspiro[4.5]decan-6-yl)ethanone is sourced from PubChem (CID 129088275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).