3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene

C14H15NO4 — CID 11499898

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene
SMILESc1cc2c(cc1C1=NOC3(CCOC3)C1)OCCO2
InChIInChI=1S/C14H15NO4/c1-2-12-13(18-6-5-17-12)7-10(1)11-8-14(19-15-11)3-4-16-9-14/h1-2,7H,3-6,8-9H2
InChIKeyFSGMUUWIXPCDDX-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.74
Rot. Bonds1

About 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene (PubChem CID 11499898) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene
PubChem CID11499898
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene
SMILESc1cc2c(cc1C1=NOC3(CCOC3)C1)OCCO2
InChIInChI=1S/C14H15NO4/c1-2-12-13(18-6-5-17-12)7-10(1)11-8-14(19-15-11)3-4-16-9-14/h1-2,7H,3-6,8-9H2
InChIKeyFSGMUUWIXPCDDX-UHFFFAOYSA-N
XLogP1.74
TPSA49.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene (CID 11499898) is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene is c1cc2c(cc1C1=NOC3(CCOC3)C1)OCCO2.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene?
The InChIKey is FSGMUUWIXPCDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-2-12-13(18-6-5-17-12)7-10(1)11-8-14(19-15-11)3-4-16-9-14/h1-2,7H,3-6,8-9H2.
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene?
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene has a molecular weight of 261.28 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene is sourced from PubChem (CID 11499898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).