(2S,4R,4'R)-2-methylspiro[1,3-dioxolane-4,3'-1-azabicyclo[2.2.1]heptane]

C9H15NO2 — CID 10057927

IUPAC(2S,4R,4'R)-2-methylspiro[1,3-dioxolane-4,3'-1-azabicyclo[2.2.1]heptane]
SMILESC[C@H]1OC[C@@]2(CN3CC[C@@H]2C3)O1
InChIInChI=1S/C9H15NO2/c1-7-11-6-9(12-7)5-10-3-2-8(9)4-10/h7-8H,2-6H2,1H3/t7-,8+,9+/m0/s1
InChIKeyBKWTWVOXJHEHBQ-DJLDLDEBSA-N
MW169.22 g/mol
LogP0.45
Rot. Bonds

About (2S,4R,4'R)-2-methylspiro[1,3-dioxolane-4,3'-1-azabicyclo[2.2.1]heptane]

(2S,4R,4'R)-2-methylspiro[1,3-dioxolane-4,3'-1-azabicyclo[2.2.1]heptane] (PubChem CID 10057927) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (2S,4R,4'R)-2-methylspiro[1,3-dioxolane-4,3'-1-azabicyclo[2.2.1]heptane].

Molecular Properties

Compound Name(2S,4R,4'R)-2-methylspiro[1,3-dioxolane-4,3'-1-azabicyclo[2.2.1]heptane]
PubChem CID10057927
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(2S,4R,4'R)-2-methylspiro[1,3-dioxolane-4,3'-1-azabicyclo[2.2.1]heptane]
SMILESC[C@H]1OC[C@@]2(CN3CC[C@@H]2C3)O1
InChIInChI=1S/C9H15NO2/c1-7-11-6-9(12-7)5-10-3-2-8(9)4-10/h7-8H,2-6H2,1H3/t7-,8+,9+/m0/s1
InChIKeyBKWTWVOXJHEHBQ-DJLDLDEBSA-N
XLogP0.45
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S,4R,4'R)-2-methylspiro[1,3-dioxolane-4,3'-1-azabicyclo[2.2.1]heptane] with MolForge

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Related Compounds

(2'S,3R,4R)-2'-ethylspiro[1-azabicyclo[2.2.1]heptane-3,5'-oxolane]-3'-one
CID 100924172
(4S)-3'-bromospiro[1-azabicyclo[2.2.1]heptane-3,5'-4H-1,2-oxazole]
CID 56649605
(2R,5R)-2-methylspiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane];(2S,5S)-2-methylspiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane];dihydrochloride
CID 76965955
2-methyl-2,4-ditritiospiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane]
CID 88622566
(2S,3R,5S)-2-methylspiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane] 3-oxide
CID 91810606
(3R,4S)-3-amino-1-azabicyclo[2.2.1]heptane-3-carboxylic acid
CID 96735288
(2S,5S)-2-deuterio-2-(trideuteriomethyl)spiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane]
CID 163285388
2-deuterio-2-(trideuteriomethyl)spiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane]
CID 71434172
[4-(2,2,6-trimethylmorpholin-4-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine
CID 105365112
(3R,4S)-3-(hydroxymethyl)-1-azabicyclo[2.2.1]heptan-3-ol
CID 130891891
3-(aminomethyl)-1-azabicyclo[2.2.1]heptan-3-ol;dihydrochloride
CID 70654199
4-(3,5-dimethylcyclohexyl)-1-azabicyclo[3.2.1]octan-4-ol
CID 105365876

Frequently Asked Questions

What is the IUPAC name of (2S,4R,4'R)-2-methylspiro[1,3-dioxolane-4,3'-1-azabicyclo[2.2.1]heptane]?
The IUPAC name of (2S,4R,4'R)-2-methylspiro[1,3-dioxolane-4,3'-1-azabicyclo[2.2.1]heptane] (CID 10057927) is (2S,4R,4'R)-2-methylspiro[1,3-dioxolane-4,3'-1-azabicyclo[2.2.1]heptane].
What is the SMILES notation for (2S,4R,4'R)-2-methylspiro[1,3-dioxolane-4,3'-1-azabicyclo[2.2.1]heptane]?
The canonical SMILES for (2S,4R,4'R)-2-methylspiro[1,3-dioxolane-4,3'-1-azabicyclo[2.2.1]heptane] is C[C@H]1OC[C@@]2(CN3CC[C@@H]2C3)O1.
What is the InChIKey of (2S,4R,4'R)-2-methylspiro[1,3-dioxolane-4,3'-1-azabicyclo[2.2.1]heptane]?
The InChIKey is BKWTWVOXJHEHBQ-DJLDLDEBSA-N. The full InChI is InChI=1S/C9H15NO2/c1-7-11-6-9(12-7)5-10-3-2-8(9)4-10/h7-8H,2-6H2,1H3/t7-,8+,9+/m0/s1.
What are the key properties of (2S,4R,4'R)-2-methylspiro[1,3-dioxolane-4,3'-1-azabicyclo[2.2.1]heptane]?
(2S,4R,4'R)-2-methylspiro[1,3-dioxolane-4,3'-1-azabicyclo[2.2.1]heptane] has a molecular weight of 169.22 g/mol, XLogP of 0.45, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,4'R)-2-methylspiro[1,3-dioxolane-4,3'-1-azabicyclo[2.2.1]heptane] is sourced from PubChem (CID 10057927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).