(8S)-7-methyl-8-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane

C11H21NO — CID 67992805

IUPAC(8S)-7-methyl-8-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane
SMILESCC(C)[C@@H]1CC2(CCCO2)CN1C
InChIInChI=1S/C11H21NO/c1-9(2)10-7-11(8-12(10)3)5-4-6-13-11/h9-10H,4-8H2,1-3H3/t10-,11?/m0/s1
InChIKeyAPCKYWULZRRFSL-VUWPPUDQSA-N
MW183.29 g/mol
LogP1.90
Rot. Bonds1

About (8S)-7-methyl-8-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane

(8S)-7-methyl-8-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane (PubChem CID 67992805) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (8S)-7-methyl-8-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name(8S)-7-methyl-8-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane
PubChem CID67992805
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(8S)-7-methyl-8-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane
SMILESCC(C)[C@@H]1CC2(CCCO2)CN1C
InChIInChI=1S/C11H21NO/c1-9(2)10-7-11(8-12(10)3)5-4-6-13-11/h9-10H,4-8H2,1-3H3/t10-,11?/m0/s1
InChIKeyAPCKYWULZRRFSL-VUWPPUDQSA-N
XLogP1.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8S)-7-methyl-8-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of (8S)-7-methyl-8-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane (CID 67992805) is (8S)-7-methyl-8-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for (8S)-7-methyl-8-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for (8S)-7-methyl-8-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane is CC(C)[C@@H]1CC2(CCCO2)CN1C.
What is the InChIKey of (8S)-7-methyl-8-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane?
The InChIKey is APCKYWULZRRFSL-VUWPPUDQSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(2)10-7-11(8-12(10)3)5-4-6-13-11/h9-10H,4-8H2,1-3H3/t10-,11?/m0/s1.
What are the key properties of (8S)-7-methyl-8-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane?
(8S)-7-methyl-8-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane has a molecular weight of 183.29 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-7-methyl-8-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 67992805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).