4,7-dimethylspiro[1,2,3,4,4a,5,7,7a-octahydrocyclopenta[c]pyridine-6,2'-1,3-dioxolane]

C12H21NO2 — CID 130023651

IUPAC4,7-dimethylspiro[1,2,3,4,4a,5,7,7a-octahydrocyclopenta[c]pyridine-6,2'-1,3-dioxolane]
SMILESCC1CNCC2C1CC1(OCCO1)C2C
InChIInChI=1S/C12H21NO2/c1-8-6-13-7-11-9(2)12(5-10(8)11)14-3-4-15-12/h8-11,13H,3-7H2,1-2H3
InChIKeyJKNJLSVHRCNCER-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.24
Rot. Bonds

About 4,7-dimethylspiro[1,2,3,4,4a,5,7,7a-octahydrocyclopenta[c]pyridine-6,2'-1,3-dioxolane]

4,7-dimethylspiro[1,2,3,4,4a,5,7,7a-octahydrocyclopenta[c]pyridine-6,2'-1,3-dioxolane] (PubChem CID 130023651) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 4,7-dimethylspiro[1,2,3,4,4a,5,7,7a-octahydrocyclopenta[c]pyridine-6,2'-1,3-dioxolane].

Molecular Properties

Compound Name4,7-dimethylspiro[1,2,3,4,4a,5,7,7a-octahydrocyclopenta[c]pyridine-6,2'-1,3-dioxolane]
PubChem CID130023651
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name4,7-dimethylspiro[1,2,3,4,4a,5,7,7a-octahydrocyclopenta[c]pyridine-6,2'-1,3-dioxolane]
SMILESCC1CNCC2C1CC1(OCCO1)C2C
InChIInChI=1S/C12H21NO2/c1-8-6-13-7-11-9(2)12(5-10(8)11)14-3-4-15-12/h8-11,13H,3-7H2,1-2H3
InChIKeyJKNJLSVHRCNCER-UHFFFAOYSA-N
XLogP1.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,7-dimethylspiro[1,2,3,4,4a,5,7,7a-octahydrocyclopenta[c]pyridine-6,2'-1,3-dioxolane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethylspiro[1,2,3,4,4a,5,7,7a-octahydrocyclopenta[c]pyridine-6,2'-1,3-dioxolane]?
The IUPAC name of 4,7-dimethylspiro[1,2,3,4,4a,5,7,7a-octahydrocyclopenta[c]pyridine-6,2'-1,3-dioxolane] (CID 130023651) is 4,7-dimethylspiro[1,2,3,4,4a,5,7,7a-octahydrocyclopenta[c]pyridine-6,2'-1,3-dioxolane].
What is the SMILES notation for 4,7-dimethylspiro[1,2,3,4,4a,5,7,7a-octahydrocyclopenta[c]pyridine-6,2'-1,3-dioxolane]?
The canonical SMILES for 4,7-dimethylspiro[1,2,3,4,4a,5,7,7a-octahydrocyclopenta[c]pyridine-6,2'-1,3-dioxolane] is CC1CNCC2C1CC1(OCCO1)C2C.
What is the InChIKey of 4,7-dimethylspiro[1,2,3,4,4a,5,7,7a-octahydrocyclopenta[c]pyridine-6,2'-1,3-dioxolane]?
The InChIKey is JKNJLSVHRCNCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-8-6-13-7-11-9(2)12(5-10(8)11)14-3-4-15-12/h8-11,13H,3-7H2,1-2H3.
What are the key properties of 4,7-dimethylspiro[1,2,3,4,4a,5,7,7a-octahydrocyclopenta[c]pyridine-6,2'-1,3-dioxolane]?
4,7-dimethylspiro[1,2,3,4,4a,5,7,7a-octahydrocyclopenta[c]pyridine-6,2'-1,3-dioxolane] has a molecular weight of 211.30 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethylspiro[1,2,3,4,4a,5,7,7a-octahydrocyclopenta[c]pyridine-6,2'-1,3-dioxolane] is sourced from PubChem (CID 130023651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).