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

C15H20ClNO2 — CID 117452508

IUPAC3-(5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine
SMILESCC(C)c1c(C2CCNC2)cc2c(c1Cl)OCCO2
InChIInChI=1S/C15H20ClNO2/c1-9(2)13-11(10-3-4-17-8-10)7-12-15(14(13)16)19-6-5-18-12/h7,9-10,17H,3-6,8H2,1-2H3
InChIKeyXVMLFEUJLLSTDP-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.31
Rot. Bonds2

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

3-(5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine (PubChem CID 117452508) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 3-(5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine.

Molecular Properties

Compound Name3-(5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine
PubChem CID117452508
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name3-(5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine
SMILESCC(C)c1c(C2CCNC2)cc2c(c1Cl)OCCO2
InChIInChI=1S/C15H20ClNO2/c1-9(2)13-11(10-3-4-17-8-10)7-12-15(14(13)16)19-6-5-18-12/h7,9-10,17H,3-6,8H2,1-2H3
InChIKeyXVMLFEUJLLSTDP-UHFFFAOYSA-N
XLogP3.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-6-ethyl-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine
CID 117423040
3-(8-chloro-6-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine
CID 117476785
3-(7-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)pyrrolidine
CID 117423037
3-[7-(1-fluoroethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]pyrrolidine
CID 117381283
3-[6-(1-fluoroethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]pyrrolidine
CID 117381284
5-pyrrolidin-3-yl-2,3-dihydro-1,4-benzodioxin-7-ol
CID 117315855
5-bromo-7-pyrrolidin-3-yl-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117483149
5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-ol
CID 84692201
3-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine
CID 84684759
3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine
CID 117387263
4-(5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazol-5-amine
CID 117473927
1-(5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-yl)cyclopropan-1-amine
CID 117422951

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine?
The IUPAC name of 3-(5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine (CID 117452508) is 3-(5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine.
What is the SMILES notation for 3-(5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine?
The canonical SMILES for 3-(5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine is CC(C)c1c(C2CCNC2)cc2c(c1Cl)OCCO2.
What is the InChIKey of 3-(5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine?
The InChIKey is XVMLFEUJLLSTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-9(2)13-11(10-3-4-17-8-10)7-12-15(14(13)16)19-6-5-18-12/h7,9-10,17H,3-6,8H2,1-2H3.
What are the key properties of 3-(5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine?
3-(5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine has a molecular weight of 281.78 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine is sourced from PubChem (CID 117452508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).