(1'R,5'S)-3'-benzylspiro[1,3-dioxolane-2,7'-3-azabicyclo[3.3.1]nonane]

C17H23NO2 — CID 71514471

IUPAC(1'R,5'S)-3'-benzylspiro[1,3-dioxolane-2,7'-3-azabicyclo[3.3.1]nonane]
SMILESc1ccc(CN2C[C@H]3C[C@@H](C2)CC2(C3)OCCO2)cc1
InChIInChI=1S/C17H23NO2/c1-2-4-14(5-3-1)11-18-12-15-8-16(13-18)10-17(9-15)19-6-7-20-17/h1-5,15-16H,6-13H2/t15-,16+
InChIKeyVYWWASRGAPUFMB-IYBDPMFKSA-N
MW273.38 g/mol
LogP2.66
Rot. Bonds2

About (1'R,5'S)-3'-benzylspiro[1,3-dioxolane-2,7'-3-azabicyclo[3.3.1]nonane]

(1'R,5'S)-3'-benzylspiro[1,3-dioxolane-2,7'-3-azabicyclo[3.3.1]nonane] (PubChem CID 71514471) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (1'R,5'S)-3'-benzylspiro[1,3-dioxolane-2,7'-3-azabicyclo[3.3.1]nonane].

Molecular Properties

Compound Name(1'R,5'S)-3'-benzylspiro[1,3-dioxolane-2,7'-3-azabicyclo[3.3.1]nonane]
PubChem CID71514471
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name(1'R,5'S)-3'-benzylspiro[1,3-dioxolane-2,7'-3-azabicyclo[3.3.1]nonane]
SMILESc1ccc(CN2C[C@H]3C[C@@H](C2)CC2(C3)OCCO2)cc1
InChIInChI=1S/C17H23NO2/c1-2-4-14(5-3-1)11-18-12-15-8-16(13-18)10-17(9-15)19-6-7-20-17/h1-5,15-16H,6-13H2/t15-,16+
InChIKeyVYWWASRGAPUFMB-IYBDPMFKSA-N
XLogP2.66
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1'R,5'S)-3'-benzylspiro[1,3-dioxolane-2,7'-3-azabicyclo[3.3.1]nonane] with MolForge

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Related Compounds

8'-benzylspiro[1,3-dioxolane-2,3'-8-azabicyclo[3.2.1]octane]
CID 85186782
(1S,5S)-3-benzyl-3-azabicyclo[3.1.0]hexane
CID 98048046
(1R,5R)-3-benzyl-6-oxa-3-azabicyclo[3.1.0]hexane
CID 88764245
9-benzyl-1,4-dioxa-9-azaspiro[4.7]dodecane-7-carbaldehyde
CID 89024276
3-benzyl-3,6-diazabicyclo[3.2.1]octane
CID 67130828
2-benzyl-5,8-dioxa-2-azaspiro[3.5]nonane
CID 138976884
(1S,5S)-3-benzyl-3,6-diazabicyclo[3.1.1]heptane
CID 98061344
(11-benzyl-1,4,8-trioxa-11-azadispiro[4.1.57.35]pentadecan-9-yl)methanol
CID 139384919
3-benzyl-3-azabicyclo[3.2.0]heptane
CID 70581599
10-benzyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;hydrochloride
CID 69032798
3-benzyl-3-azabicyclo[3.1.1]heptan-6-one
CID 47003605
(3aS,6aR)-5-benzyl-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole
CID 11831337

Frequently Asked Questions

What is the IUPAC name of (1'R,5'S)-3'-benzylspiro[1,3-dioxolane-2,7'-3-azabicyclo[3.3.1]nonane]?
The IUPAC name of (1'R,5'S)-3'-benzylspiro[1,3-dioxolane-2,7'-3-azabicyclo[3.3.1]nonane] (CID 71514471) is (1'R,5'S)-3'-benzylspiro[1,3-dioxolane-2,7'-3-azabicyclo[3.3.1]nonane].
What is the SMILES notation for (1'R,5'S)-3'-benzylspiro[1,3-dioxolane-2,7'-3-azabicyclo[3.3.1]nonane]?
The canonical SMILES for (1'R,5'S)-3'-benzylspiro[1,3-dioxolane-2,7'-3-azabicyclo[3.3.1]nonane] is c1ccc(CN2C[C@H]3C[C@@H](C2)CC2(C3)OCCO2)cc1.
What is the InChIKey of (1'R,5'S)-3'-benzylspiro[1,3-dioxolane-2,7'-3-azabicyclo[3.3.1]nonane]?
The InChIKey is VYWWASRGAPUFMB-IYBDPMFKSA-N. The full InChI is InChI=1S/C17H23NO2/c1-2-4-14(5-3-1)11-18-12-15-8-16(13-18)10-17(9-15)19-6-7-20-17/h1-5,15-16H,6-13H2/t15-,16+.
What are the key properties of (1'R,5'S)-3'-benzylspiro[1,3-dioxolane-2,7'-3-azabicyclo[3.3.1]nonane]?
(1'R,5'S)-3'-benzylspiro[1,3-dioxolane-2,7'-3-azabicyclo[3.3.1]nonane] has a molecular weight of 273.38 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,5'S)-3'-benzylspiro[1,3-dioxolane-2,7'-3-azabicyclo[3.3.1]nonane] is sourced from PubChem (CID 71514471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).