(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-3-ylpent-1-en-3-ol

C18H19NO3 — CID 22132429

IUPAC(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-3-ylpent-1-en-3-ol
SMILESOC(/C=C/c1ccc2c(c1)OCCO2)CCc1cccnc1
InChIInChI=1S/C18H19NO3/c20-16(7-4-15-2-1-9-19-13-15)6-3-14-5-8-17-18(12-14)22-11-10-21-17/h1-3,5-6,8-9,12-13,16,20H,4,7,10-11H2/b6-3+
InChIKeyDQRIOKMJCMGNMY-ZZXKWVIFSA-N
MW297.35 g/mol
LogP2.86
Rot. Bonds5

About (E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-3-ylpent-1-en-3-ol

(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-3-ylpent-1-en-3-ol (PubChem CID 22132429) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is (E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-3-ylpent-1-en-3-ol.

Molecular Properties

Compound Name(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-3-ylpent-1-en-3-ol
PubChem CID22132429
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-3-ylpent-1-en-3-ol
SMILESOC(/C=C/c1ccc2c(c1)OCCO2)CCc1cccnc1
InChIInChI=1S/C18H19NO3/c20-16(7-4-15-2-1-9-19-13-15)6-3-14-5-8-17-18(12-14)22-11-10-21-17/h1-3,5-6,8-9,12-13,16,20H,4,7,10-11H2/b6-3+
InChIKeyDQRIOKMJCMGNMY-ZZXKWVIFSA-N
XLogP2.86
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-3-ylpent-1-en-3-ol?
The IUPAC name of (E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-3-ylpent-1-en-3-ol (CID 22132429) is (E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-3-ylpent-1-en-3-ol.
What is the SMILES notation for (E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-3-ylpent-1-en-3-ol?
The canonical SMILES for (E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-3-ylpent-1-en-3-ol is OC(/C=C/c1ccc2c(c1)OCCO2)CCc1cccnc1.
What is the InChIKey of (E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-3-ylpent-1-en-3-ol?
The InChIKey is DQRIOKMJCMGNMY-ZZXKWVIFSA-N. The full InChI is InChI=1S/C18H19NO3/c20-16(7-4-15-2-1-9-19-13-15)6-3-14-5-8-17-18(12-14)22-11-10-21-17/h1-3,5-6,8-9,12-13,16,20H,4,7,10-11H2/b6-3+.
What are the key properties of (E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-3-ylpent-1-en-3-ol?
(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-3-ylpent-1-en-3-ol has a molecular weight of 297.35 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-3-ylpent-1-en-3-ol is sourced from PubChem (CID 22132429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).