2-(7-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine

C13H16ClNO2 — CID 117387320

IUPAC2-(7-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine
SMILESCc1c(Cl)cc2c(c1C1CCCN1)OCCO2
InChIInChI=1S/C13H16ClNO2/c1-8-9(14)7-11-13(17-6-5-16-11)12(8)10-3-2-4-15-10/h7,10,15H,2-6H2,1H3
InChIKeyOLSGZULMBPAWIV-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.84
Rot. Bonds1

About 2-(7-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine

2-(7-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine (PubChem CID 117387320) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-(7-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine.

Molecular Properties

Compound Name2-(7-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine
PubChem CID117387320
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name2-(7-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine
SMILESCc1c(Cl)cc2c(c1C1CCCN1)OCCO2
InChIInChI=1S/C13H16ClNO2/c1-8-9(14)7-11-13(17-6-5-16-11)12(8)10-3-2-4-15-10/h7,10,15H,2-6H2,1H3
InChIKeyOLSGZULMBPAWIV-UHFFFAOYSA-N
XLogP2.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-chloro-7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)pyrrolidine
CID 117456238
2-(8-chloro-6-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine
CID 117452481
2-(8-chloro-6-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine
CID 117476778
2-(8-bromo-6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine
CID 117497077
2-(6-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine
CID 117423106
2-(8-chloro-6-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine
CID 117494550
2-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine
CID 117385693
7-fluoro-5-piperidin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117385570
2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine
CID 117387275
2-(3-chloro-5-fluoro-2,6-dimethylphenyl)piperidine
CID 84801356
2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine
CID 117338806
4-(8-chloro-6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine
CID 117452512

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine?
The IUPAC name of 2-(7-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine (CID 117387320) is 2-(7-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine.
What is the SMILES notation for 2-(7-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine?
The canonical SMILES for 2-(7-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine is Cc1c(Cl)cc2c(c1C1CCCN1)OCCO2.
What is the InChIKey of 2-(7-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine?
The InChIKey is OLSGZULMBPAWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-8-9(14)7-11-13(17-6-5-16-11)12(8)10-3-2-4-15-10/h7,10,15H,2-6H2,1H3.
What are the key properties of 2-(7-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine?
2-(7-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine has a molecular weight of 253.73 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine is sourced from PubChem (CID 117387320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).