2-benzyl-5,8-dioxa-2-azaspiro[3.5]nonane

C13H17NO2 — CID 138976884

IUPAC2-benzyl-5,8-dioxa-2-azaspiro[3.5]nonane
SMILESc1ccc(CN2CC3(COCCO3)C2)cc1
InChIInChI=1S/C13H17NO2/c1-2-4-12(5-3-1)8-14-9-13(10-14)11-15-6-7-16-13/h1-5H,6-11H2
InChIKeyNBJIKUWHYNNNKO-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.29
Rot. Bonds2

About 2-benzyl-5,8-dioxa-2-azaspiro[3.5]nonane

2-benzyl-5,8-dioxa-2-azaspiro[3.5]nonane (PubChem CID 138976884) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-benzyl-5,8-dioxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-benzyl-5,8-dioxa-2-azaspiro[3.5]nonane
PubChem CID138976884
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-benzyl-5,8-dioxa-2-azaspiro[3.5]nonane
SMILESc1ccc(CN2CC3(COCCO3)C2)cc1
InChIInChI=1S/C13H17NO2/c1-2-4-12(5-3-1)8-14-9-13(10-14)11-15-6-7-16-13/h1-5H,6-11H2
InChIKeyNBJIKUWHYNNNKO-UHFFFAOYSA-N
XLogP1.29
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-benzyl-5,8-dioxa-2-azaspiro[3.5]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-7-benzyl-1-oxa-7-azaspiro[2.5]octane
CID 92976100
2-benzyl-6-oxa-2-azaspiro[4.5]decane
CID 82390526
1-benzyl-5,8-dioxa-1-azaspiro[3.5]nonane
CID 70380943
(6R)-8-benzyl-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 95043156
1-benzyl-3,3,4,4-tetrafluoropyrrolidine;hydrochloride
CID 22645922
(1'R,5'S)-3'-benzylspiro[1,3-dioxolane-2,7'-3-azabicyclo[3.3.1]nonane]
CID 71514471
(3aS,6aS)-5-benzyl-3a,6a-dimethyl-4,6-dihydrofuro[3,4-c]pyrrole-1,3-dione
CID 98080696
(6S)-8-[(4-fluorophenyl)methyl]-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 97374532
(6R)-8-[(4-fluorophenyl)methyl]-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 97374531
[1-benzyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol
CID 72620554
8-benzyl-1-oxa-8-azaspiro[5.5]undecan-4-ol
CID 132941698
4-benzyl-9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97372231

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5,8-dioxa-2-azaspiro[3.5]nonane?
The IUPAC name of 2-benzyl-5,8-dioxa-2-azaspiro[3.5]nonane (CID 138976884) is 2-benzyl-5,8-dioxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for 2-benzyl-5,8-dioxa-2-azaspiro[3.5]nonane?
The canonical SMILES for 2-benzyl-5,8-dioxa-2-azaspiro[3.5]nonane is c1ccc(CN2CC3(COCCO3)C2)cc1.
What is the InChIKey of 2-benzyl-5,8-dioxa-2-azaspiro[3.5]nonane?
The InChIKey is NBJIKUWHYNNNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-4-12(5-3-1)8-14-9-13(10-14)11-15-6-7-16-13/h1-5H,6-11H2.
What are the key properties of 2-benzyl-5,8-dioxa-2-azaspiro[3.5]nonane?
2-benzyl-5,8-dioxa-2-azaspiro[3.5]nonane has a molecular weight of 219.28 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5,8-dioxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 138976884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).