3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

C14H14N2O2 — CID 2999774

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESc1cc2c(cc1-c1cnc3n1CCC3)OCCO2
InChIInChI=1S/C14H14N2O2/c1-2-14-15-9-11(16(14)5-1)10-3-4-12-13(8-10)18-7-6-17-12/h3-4,8-9H,1-2,5-7H2
InChIKeyKTMZVNFEULYZQH-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.27
Rot. Bonds1

About 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (PubChem CID 2999774) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
PubChem CID2999774
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESc1cc2c(cc1-c1cnc3n1CCC3)OCCO2
InChIInChI=1S/C14H14N2O2/c1-2-14-15-9-11(16(14)5-1)10-3-4-12-13(8-10)18-7-6-17-12/h3-4,8-9H,1-2,5-7H2
InChIKeyKTMZVNFEULYZQH-UHFFFAOYSA-N
XLogP2.27
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (CID 2999774) is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is c1cc2c(cc1-c1cnc3n1CCC3)OCCO2.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The InChIKey is KTMZVNFEULYZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-2-14-15-9-11(16(14)5-1)10-3-4-12-13(8-10)18-7-6-17-12/h3-4,8-9H,1-2,5-7H2.
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole has a molecular weight of 242.28 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 2999774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).