(6R)-8-methyl-6-(1-methylpyrazol-4-yl)-5-oxa-8-azaspiro[3.5]nonane

C12H19N3O — CID 176675633

IUPAC(6R)-8-methyl-6-(1-methylpyrazol-4-yl)-5-oxa-8-azaspiro[3.5]nonane
SMILESCN1C[C@@H](c2cnn(C)c2)OC2(CCC2)C1
InChIInChI=1S/C12H19N3O/c1-14-8-11(10-6-13-15(2)7-10)16-12(9-14)4-3-5-12/h6-7,11H,3-5,8-9H2,1-2H3/t11-/m0/s1
InChIKeyWHGVBGWOMDBKQT-NSHDSACASA-N
MW221.30 g/mol
LogP1.35
Rot. Bonds1

About (6R)-8-methyl-6-(1-methylpyrazol-4-yl)-5-oxa-8-azaspiro[3.5]nonane

(6R)-8-methyl-6-(1-methylpyrazol-4-yl)-5-oxa-8-azaspiro[3.5]nonane (PubChem CID 176675633) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is (6R)-8-methyl-6-(1-methylpyrazol-4-yl)-5-oxa-8-azaspiro[3.5]nonane.

Molecular Properties

Compound Name(6R)-8-methyl-6-(1-methylpyrazol-4-yl)-5-oxa-8-azaspiro[3.5]nonane
PubChem CID176675633
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name(6R)-8-methyl-6-(1-methylpyrazol-4-yl)-5-oxa-8-azaspiro[3.5]nonane
SMILESCN1C[C@@H](c2cnn(C)c2)OC2(CCC2)C1
InChIInChI=1S/C12H19N3O/c1-14-8-11(10-6-13-15(2)7-10)16-12(9-14)4-3-5-12/h6-7,11H,3-5,8-9H2,1-2H3/t11-/m0/s1
InChIKeyWHGVBGWOMDBKQT-NSHDSACASA-N
XLogP1.35
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6R)-8-methyl-6-(1-methylpyrazol-4-yl)-5-oxa-8-azaspiro[3.5]nonane?
The IUPAC name of (6R)-8-methyl-6-(1-methylpyrazol-4-yl)-5-oxa-8-azaspiro[3.5]nonane (CID 176675633) is (6R)-8-methyl-6-(1-methylpyrazol-4-yl)-5-oxa-8-azaspiro[3.5]nonane.
What is the SMILES notation for (6R)-8-methyl-6-(1-methylpyrazol-4-yl)-5-oxa-8-azaspiro[3.5]nonane?
The canonical SMILES for (6R)-8-methyl-6-(1-methylpyrazol-4-yl)-5-oxa-8-azaspiro[3.5]nonane is CN1C[C@@H](c2cnn(C)c2)OC2(CCC2)C1.
What is the InChIKey of (6R)-8-methyl-6-(1-methylpyrazol-4-yl)-5-oxa-8-azaspiro[3.5]nonane?
The InChIKey is WHGVBGWOMDBKQT-NSHDSACASA-N. The full InChI is InChI=1S/C12H19N3O/c1-14-8-11(10-6-13-15(2)7-10)16-12(9-14)4-3-5-12/h6-7,11H,3-5,8-9H2,1-2H3/t11-/m0/s1.
What are the key properties of (6R)-8-methyl-6-(1-methylpyrazol-4-yl)-5-oxa-8-azaspiro[3.5]nonane?
(6R)-8-methyl-6-(1-methylpyrazol-4-yl)-5-oxa-8-azaspiro[3.5]nonane has a molecular weight of 221.30 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-8-methyl-6-(1-methylpyrazol-4-yl)-5-oxa-8-azaspiro[3.5]nonane is sourced from PubChem (CID 176675633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).