1-[(5R,9R)-1-oxaspiro[4.4]nonan-9-yl]pyrazole

C11H16N2O — CID 170965690

IUPAC1-[(5R,9R)-1-oxaspiro[4.4]nonan-9-yl]pyrazole
SMILESc1cnn([C@@H]2CCC[C@@]23CCCO3)c1
InChIInChI=1S/C11H16N2O/c1-4-10(13-8-3-7-12-13)11(5-1)6-2-9-14-11/h3,7-8,10H,1-2,4-6,9H2/t10-,11-/m1/s1
InChIKeyRWFVGBALVAUHPC-GHMZBOCLSA-N
MW192.26 g/mol
LogP2.16
Rot. Bonds1

About 1-[(5R,9R)-1-oxaspiro[4.4]nonan-9-yl]pyrazole

1-[(5R,9R)-1-oxaspiro[4.4]nonan-9-yl]pyrazole (PubChem CID 170965690) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-[(5R,9R)-1-oxaspiro[4.4]nonan-9-yl]pyrazole.

Molecular Properties

Compound Name1-[(5R,9R)-1-oxaspiro[4.4]nonan-9-yl]pyrazole
PubChem CID170965690
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-[(5R,9R)-1-oxaspiro[4.4]nonan-9-yl]pyrazole
SMILESc1cnn([C@@H]2CCC[C@@]23CCCO3)c1
InChIInChI=1S/C11H16N2O/c1-4-10(13-8-3-7-12-13)11(5-1)6-2-9-14-11/h3,7-8,10H,1-2,4-6,9H2/t10-,11-/m1/s1
InChIKeyRWFVGBALVAUHPC-GHMZBOCLSA-N
XLogP2.16
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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[(5S)-1-oxaspiro[4.4]nonan-9-yl]hydrazine
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spiro[4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-c][1,4]oxazine-1,1'-cyclopentane]
CID 45098810
1-(1-cyclobutylazetidin-3-yl)pyrazole
CID 131134144
2-pyrazol-1-ylcyclopentan-1-amine
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2,2-dimethyl-5-pyrazol-1-ylcyclopentan-1-amine
CID 79859695
trans-(1S,2S)-2-pyrazol-1-ylcyclopentan-1-amine;trans-(1R,2R)-2-pyrazol-1-ylcyclopentan-1-amine;dihydrochloride
CID 126854443
(3S,4S)-3-cyclopropyl-5-oxa-2-azaspiro[3.4]octane
CID 124710254

Frequently Asked Questions

What is the IUPAC name of 1-[(5R,9R)-1-oxaspiro[4.4]nonan-9-yl]pyrazole?
The IUPAC name of 1-[(5R,9R)-1-oxaspiro[4.4]nonan-9-yl]pyrazole (CID 170965690) is 1-[(5R,9R)-1-oxaspiro[4.4]nonan-9-yl]pyrazole.
What is the SMILES notation for 1-[(5R,9R)-1-oxaspiro[4.4]nonan-9-yl]pyrazole?
The canonical SMILES for 1-[(5R,9R)-1-oxaspiro[4.4]nonan-9-yl]pyrazole is c1cnn([C@@H]2CCC[C@@]23CCCO3)c1.
What is the InChIKey of 1-[(5R,9R)-1-oxaspiro[4.4]nonan-9-yl]pyrazole?
The InChIKey is RWFVGBALVAUHPC-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H16N2O/c1-4-10(13-8-3-7-12-13)11(5-1)6-2-9-14-11/h3,7-8,10H,1-2,4-6,9H2/t10-,11-/m1/s1.
What are the key properties of 1-[(5R,9R)-1-oxaspiro[4.4]nonan-9-yl]pyrazole?
1-[(5R,9R)-1-oxaspiro[4.4]nonan-9-yl]pyrazole has a molecular weight of 192.26 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5R,9R)-1-oxaspiro[4.4]nonan-9-yl]pyrazole is sourced from PubChem (CID 170965690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).