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

C14H18ClNO2 — CID 117423040

IUPAC3-(5-chloro-6-ethyl-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine
SMILESCCc1c(C2CCNC2)cc2c(c1Cl)OCCO2
InChIInChI=1S/C14H18ClNO2/c1-2-10-11(9-3-4-16-8-9)7-12-14(13(10)15)18-6-5-17-12/h7,9,16H,2-6,8H2,1H3
InChIKeySOJODQFSHYDPSN-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.75
Rot. Bonds2

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

3-(5-chloro-6-ethyl-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine (PubChem CID 117423040) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 3-(5-chloro-6-ethyl-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine.

Molecular Properties

Compound Name3-(5-chloro-6-ethyl-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine
PubChem CID117423040
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name3-(5-chloro-6-ethyl-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine
SMILESCCc1c(C2CCNC2)cc2c(c1Cl)OCCO2
InChIInChI=1S/C14H18ClNO2/c1-2-10-11(9-3-4-16-8-9)7-12-14(13(10)15)18-6-5-17-12/h7,9,16H,2-6,8H2,1H3
InChIKeySOJODQFSHYDPSN-UHFFFAOYSA-N
XLogP2.75
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine
CID 117452508
5-pyrrolidin-3-yl-2,3-dihydro-1,4-benzodioxin-7-ol
CID 117315855
3-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine
CID 84684759
5-bromo-7-pyrrolidin-3-yl-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117483149
7-bromo-5-chloro-6-ethyl-2,3-dihydro-1,4-benzodioxine
CID 84714678
3-[7-(1-fluoroethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]pyrrolidine
CID 117381283
4-(7-chloro-6-methyl-1,3-benzodioxol-5-yl)piperidine
CID 117387252
3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine
CID 117387263
3-[6-(1-fluoroethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]pyrrolidine
CID 117381284
3-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine
CID 84696872
1-[(5-chloro-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine
CID 117454647
5-chloro-6-ethyl-2,3-dihydro-1,4-benzodioxine-7-carbonitrile
CID 117320984

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-6-ethyl-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine?
The IUPAC name of 3-(5-chloro-6-ethyl-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine (CID 117423040) is 3-(5-chloro-6-ethyl-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine.
What is the SMILES notation for 3-(5-chloro-6-ethyl-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine?
The canonical SMILES for 3-(5-chloro-6-ethyl-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine is CCc1c(C2CCNC2)cc2c(c1Cl)OCCO2.
What is the InChIKey of 3-(5-chloro-6-ethyl-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine?
The InChIKey is SOJODQFSHYDPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-2-10-11(9-3-4-16-8-9)7-12-14(13(10)15)18-6-5-17-12/h7,9,16H,2-6,8H2,1H3.
What are the key properties of 3-(5-chloro-6-ethyl-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine?
3-(5-chloro-6-ethyl-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine has a molecular weight of 267.76 g/mol, XLogP of 2.75, 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-ethyl-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine is sourced from PubChem (CID 117423040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).