spiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-isoquinoline]

C11H13NO2 — CID 20703604

IUPACspiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-isoquinoline]
SMILESc1ccc2c(c1)CNCC21OCCO1
InChIInChI=1S/C11H13NO2/c1-2-4-10-9(3-1)7-12-8-11(10)13-5-6-14-11/h1-4,12H,5-8H2
InChIKeyIDFRYODJKVCXHT-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.99
Rot. Bonds

About spiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-isoquinoline]

spiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-isoquinoline] (PubChem CID 20703604) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is spiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-isoquinoline].

Molecular Properties

Compound Namespiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-isoquinoline]
PubChem CID20703604
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Namespiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-isoquinoline]
SMILESc1ccc2c(c1)CNCC21OCCO1
InChIInChI=1S/C11H13NO2/c1-2-4-10-9(3-1)7-12-8-11(10)13-5-6-14-11/h1-4,12H,5-8H2
InChIKeyIDFRYODJKVCXHT-UHFFFAOYSA-N
XLogP0.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze spiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-isoquinoline] with MolForge

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Related Compounds

6'-chlorospiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-isoquinoline]
CID 20703596
carbon monoxide;chromium(6+);spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]octa-1,3,5-triene]
CID 11986145
2'-methylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
CID 167309537
propane;spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]
CID 123656510
spiro[1H-2-benzofuran-3,3'-pyrrolidine];hydrochloride
CID 66662035
azane;2,3-dihydro-1H-isoindole
CID 23342931
benzene;2,3-dihydro-1H-isoindole
CID 161490745
2,2-difluoro-4,5-dihydro-3H-1,4-benzoxazepine
CID 162422503
spiro[1,3-dioxane-2,4'-2,3-dihydro-1lambda6,2-benzothiazine] 1',1'-dioxide
CID 15427821
CID 11673102
CID 11673102
2,3-dihydro-1H-isoindole;molecular hydrogen
CID 144672550
ethane;spiro[1H-2-benzofuran-3,4'-piperidine]
CID 163403209

Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-isoquinoline]?
The IUPAC name of spiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-isoquinoline] (CID 20703604) is spiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-isoquinoline].
What is the SMILES notation for spiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-isoquinoline]?
The canonical SMILES for spiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-isoquinoline] is c1ccc2c(c1)CNCC21OCCO1.
What is the InChIKey of spiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-isoquinoline]?
The InChIKey is IDFRYODJKVCXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-2-4-10-9(3-1)7-12-8-11(10)13-5-6-14-11/h1-4,12H,5-8H2.
What are the key properties of spiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-isoquinoline]?
spiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-isoquinoline] has a molecular weight of 191.23 g/mol, XLogP of 0.99, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-isoquinoline] is sourced from PubChem (CID 20703604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).