8-(3,5-dihydro-2H-1,4-benzodioxepin-7-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol

C19H19NO4 — CID 121389415

IUPAC8-(3,5-dihydro-2H-1,4-benzodioxepin-7-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol
SMILESOC1c2cncc(-c3ccc4c(c3)COCCO4)c2COC12CC2
InChIInChI=1S/C19H19NO4/c21-18-15-9-20-8-14(16(15)11-24-19(18)3-4-19)12-1-2-17-13(7-12)10-22-5-6-23-17/h1-2,7-9,18,21H,3-6,10-11H2
InChIKeyLAMGTUWVGRKMON-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.75
Rot. Bonds1

About 8-(3,5-dihydro-2H-1,4-benzodioxepin-7-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol

8-(3,5-dihydro-2H-1,4-benzodioxepin-7-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol (PubChem CID 121389415) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 8-(3,5-dihydro-2H-1,4-benzodioxepin-7-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol.

Molecular Properties

Compound Name8-(3,5-dihydro-2H-1,4-benzodioxepin-7-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol
PubChem CID121389415
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name8-(3,5-dihydro-2H-1,4-benzodioxepin-7-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol
SMILESOC1c2cncc(-c3ccc4c(c3)COCCO4)c2COC12CC2
InChIInChI=1S/C19H19NO4/c21-18-15-9-20-8-14(16(15)11-24-19(18)3-4-19)12-1-2-17-13(7-12)10-22-5-6-23-17/h1-2,7-9,18,21H,3-6,10-11H2
InChIKeyLAMGTUWVGRKMON-UHFFFAOYSA-N
XLogP2.75
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-(3,5-dihydro-2H-1,4-benzodioxepin-7-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol with MolForge

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Launch Full Analysis

Related Compounds

AH 6696
CID 192830
8-(4,4-Difluoro-chroman-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol, Enantiomer II
CID 121389353
(3S,4R)-3-hydroxy-2,2,3-trimethyl-4-pyridin-2-yloxy-4H-chromene-6-carbonitrile
CID 44335445
(2,2-Dimethylchromen-6-yl)-(3-pyridyl)methanol
CID 16729494
6-(4-Hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)-chromen-2-one, Enantiomer I
CID 121389333
8-(4-Hydroxy-chroman-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol, Stereoisomer I
CID 121389346
8-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol, Enantiomer I
CID 121389367
8-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol, Enantiomer I
CID 121389368
8-(2,3-Dihydro-5H-benzo[e][1,4]dioxepin-7-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol, Enantiomer II
CID 121389438
8-(3,3-Dimethyl-2,3-dihydro-benzofuran-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol, Enantiomer I
CID 121389445
8-(4-Hydroxy-4-methyl-chroman-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol, Stereoisomer I
CID 121389348
1-[4-Phenyl-2-(trifluoromethyl)phenoxy]-4-pyridin-3-ylbutan-2-ol
CID 21830651

Frequently Asked Questions

What is the IUPAC name of 8-(3,5-dihydro-2H-1,4-benzodioxepin-7-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol?
The IUPAC name of 8-(3,5-dihydro-2H-1,4-benzodioxepin-7-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol (CID 121389415) is 8-(3,5-dihydro-2H-1,4-benzodioxepin-7-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol.
What is the SMILES notation for 8-(3,5-dihydro-2H-1,4-benzodioxepin-7-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol?
The canonical SMILES for 8-(3,5-dihydro-2H-1,4-benzodioxepin-7-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol is OC1c2cncc(-c3ccc4c(c3)COCCO4)c2COC12CC2.
What is the InChIKey of 8-(3,5-dihydro-2H-1,4-benzodioxepin-7-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol?
The InChIKey is LAMGTUWVGRKMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c21-18-15-9-20-8-14(16(15)11-24-19(18)3-4-19)12-1-2-17-13(7-12)10-22-5-6-23-17/h1-2,7-9,18,21H,3-6,10-11H2.
What are the key properties of 8-(3,5-dihydro-2H-1,4-benzodioxepin-7-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol?
8-(3,5-dihydro-2H-1,4-benzodioxepin-7-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol has a molecular weight of 325.36 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,5-dihydro-2H-1,4-benzodioxepin-7-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol is sourced from PubChem (CID 121389415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).