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

C11H12ClNO2 — CID 20703596

IUPAC6'-chlorospiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-isoquinoline]
SMILESClc1ccc2c(c1)C1(CNC2)OCCO1
InChIInChI=1S/C11H12ClNO2/c12-9-2-1-8-6-13-7-11(10(8)5-9)14-3-4-15-11/h1-2,5,13H,3-4,6-7H2
InChIKeyXUSIXVAHBRXBFG-UHFFFAOYSA-N
MW225.67 g/mol
LogP1.64
Rot. Bonds

About 6'-chlorospiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-isoquinoline]

6'-chlorospiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-isoquinoline] (PubChem CID 20703596) has the molecular formula C11H12ClNO2 and a molecular weight of 225.67 g/mol. Its IUPAC name is 6'-chlorospiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-isoquinoline].

Molecular Properties

Compound Name6'-chlorospiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-isoquinoline]
PubChem CID20703596
Molecular FormulaC11H12ClNO2
Molecular Weight225.67 g/mol
Exact Mass225.06
IUPAC Name6'-chlorospiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-isoquinoline]
SMILESClc1ccc2c(c1)C1(CNC2)OCCO1
InChIInChI=1S/C11H12ClNO2/c12-9-2-1-8-6-13-7-11(10(8)5-9)14-3-4-15-11/h1-2,5,13H,3-4,6-7H2
InChIKeyXUSIXVAHBRXBFG-UHFFFAOYSA-N
XLogP1.64
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.67
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6'-chlorospiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-isoquinoline] 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

spiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-isoquinoline]
CID 20703604
7-chloro-4,4-difluoro-2,3-dihydro-1H-isoquinoline
CID 84721787
5-chlorospiro[1H-2-benzofuran-3,3'-pyrrolidine]
CID 84677333
7-chloro-2,2-dimethyl-4,5-dihydro-3H-1,4-benzoxazepine
CID 84621622
2-(5-chloro-2-fluorophenyl)-2-methyloxirane
CID 82468551
2-(2,5-dichlorophenyl)-2-propyl-1,3-dioxolane
CID 83957869
2-(5-chloro-2-methoxyphenyl)-2-methyl-1,3-dioxolane
CID 82128354
2-(chloromethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane;ethane
CID 143933612
3-(5-chloro-2-methylphenyl)azetidin-3-amine
CID 166608836
8-chloro-5-fluoro-5-methyl-1,2,3,4-tetrahydro-2-benzazepine
CID 84723595
6-chloro-1,2,3,4-tetrahydroisoquinolin-4-ol;hydrochloride
CID 146013175
7-chloro-2,3,4,5-tetrahydro-1H-2-benzazepin-5-ol
CID 83679545

Frequently Asked Questions

What is the IUPAC name of 6'-chlorospiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-isoquinoline]?
The IUPAC name of 6'-chlorospiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-isoquinoline] (CID 20703596) is 6'-chlorospiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-isoquinoline].
What is the SMILES notation for 6'-chlorospiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-isoquinoline]?
The canonical SMILES for 6'-chlorospiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-isoquinoline] is Clc1ccc2c(c1)C1(CNC2)OCCO1.
What is the InChIKey of 6'-chlorospiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-isoquinoline]?
The InChIKey is XUSIXVAHBRXBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2/c12-9-2-1-8-6-13-7-11(10(8)5-9)14-3-4-15-11/h1-2,5,13H,3-4,6-7H2.
What are the key properties of 6'-chlorospiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-isoquinoline]?
6'-chlorospiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-isoquinoline] has a molecular weight of 225.67 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-chlorospiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-isoquinoline] is sourced from PubChem (CID 20703596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).