[(7R)-8-methyl-1,4-dioxa-8-azaspiro[4.5]decan-7-yl]methanol

C9H17NO3 — CID 167171241

IUPAC[(7R)-8-methyl-1,4-dioxa-8-azaspiro[4.5]decan-7-yl]methanol
SMILESCN1CCC2(C[C@@H]1CO)OCCO2
InChIInChI=1S/C9H17NO3/c1-10-3-2-9(6-8(10)7-11)12-4-5-13-9/h8,11H,2-7H2,1H3/t8-/m1/s1
InChIKeyRWHSUFGVUTVNNR-MRVPVSSYSA-N
MW187.24 g/mol
LogP-0.18
Rot. Bonds1

About [(7R)-8-methyl-1,4-dioxa-8-azaspiro[4.5]decan-7-yl]methanol

[(7R)-8-methyl-1,4-dioxa-8-azaspiro[4.5]decan-7-yl]methanol (PubChem CID 167171241) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is [(7R)-8-methyl-1,4-dioxa-8-azaspiro[4.5]decan-7-yl]methanol.

Molecular Properties

Compound Name[(7R)-8-methyl-1,4-dioxa-8-azaspiro[4.5]decan-7-yl]methanol
PubChem CID167171241
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name[(7R)-8-methyl-1,4-dioxa-8-azaspiro[4.5]decan-7-yl]methanol
SMILESCN1CCC2(C[C@@H]1CO)OCCO2
InChIInChI=1S/C9H17NO3/c1-10-3-2-9(6-8(10)7-11)12-4-5-13-9/h8,11H,2-7H2,1H3/t8-/m1/s1
InChIKeyRWHSUFGVUTVNNR-MRVPVSSYSA-N
XLogP-0.18
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(7R)-8-methyl-1,4-dioxa-8-azaspiro[4.5]decan-7-yl]methanol?
The IUPAC name of [(7R)-8-methyl-1,4-dioxa-8-azaspiro[4.5]decan-7-yl]methanol (CID 167171241) is [(7R)-8-methyl-1,4-dioxa-8-azaspiro[4.5]decan-7-yl]methanol.
What is the SMILES notation for [(7R)-8-methyl-1,4-dioxa-8-azaspiro[4.5]decan-7-yl]methanol?
The canonical SMILES for [(7R)-8-methyl-1,4-dioxa-8-azaspiro[4.5]decan-7-yl]methanol is CN1CCC2(C[C@@H]1CO)OCCO2.
What is the InChIKey of [(7R)-8-methyl-1,4-dioxa-8-azaspiro[4.5]decan-7-yl]methanol?
The InChIKey is RWHSUFGVUTVNNR-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-10-3-2-9(6-8(10)7-11)12-4-5-13-9/h8,11H,2-7H2,1H3/t8-/m1/s1.
What are the key properties of [(7R)-8-methyl-1,4-dioxa-8-azaspiro[4.5]decan-7-yl]methanol?
[(7R)-8-methyl-1,4-dioxa-8-azaspiro[4.5]decan-7-yl]methanol has a molecular weight of 187.24 g/mol, XLogP of -0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(7R)-8-methyl-1,4-dioxa-8-azaspiro[4.5]decan-7-yl]methanol is sourced from PubChem (CID 167171241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).