2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine

C14H19NO2 — CID 117338806

IUPAC2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine
SMILESCc1cc(C2CCCN2)c2c(c1C)OCCO2
InChIInChI=1S/C14H19NO2/c1-9-8-11(12-4-3-5-15-12)14-13(10(9)2)16-6-7-17-14/h8,12,15H,3-7H2,1-2H3
InChIKeyHXPBQXLMKXUZAE-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.50
Rot. Bonds1

About 2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine

2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine (PubChem CID 117338806) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine.

Molecular Properties

Compound Name2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine
PubChem CID117338806
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine
SMILESCc1cc(C2CCCN2)c2c(c1C)OCCO2
InChIInChI=1S/C14H19NO2/c1-9-8-11(12-4-3-5-15-12)14-13(10(9)2)16-6-7-17-14/h8,12,15H,3-7H2,1-2H3
InChIKeyHXPBQXLMKXUZAE-UHFFFAOYSA-N
XLogP2.50
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine 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

2-(5-bromo-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine
CID 117480070
2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)pyrrolidine
CID 117319500
(2S)-2-(6-methyl-3,4-dihydro-2H-chromen-8-yl)pyrrolidine
CID 66518877
2-[7-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]pyrrolidine
CID 117417339
2-(4-methoxy-2,3,5-trimethylphenyl)pyrrolidine
CID 82286064
2-(6-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine
CID 117423106
2-(7-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine
CID 117387320
2-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)piperidine
CID 117376371
(2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine
CID 51716217
(2S)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine
CID 66519243
2-(2,5-dimethylfuran-3-yl)pyrrolidine
CID 54594405
(2S)-2-(4-methylfuran-3-yl)pyrrolidine
CID 96733805

Frequently Asked Questions

What is the IUPAC name of 2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine?
The IUPAC name of 2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine (CID 117338806) is 2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine.
What is the SMILES notation for 2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine?
The canonical SMILES for 2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine is Cc1cc(C2CCCN2)c2c(c1C)OCCO2.
What is the InChIKey of 2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine?
The InChIKey is HXPBQXLMKXUZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9-8-11(12-4-3-5-15-12)14-13(10(9)2)16-6-7-17-14/h8,12,15H,3-7H2,1-2H3.
What are the key properties of 2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine?
2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine has a molecular weight of 233.31 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine is sourced from PubChem (CID 117338806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).