2,3-dihydro-1H-isoindol-5-yl(5-oxaspiro[3.5]nonan-8-yl)methanone

C17H21NO2 — CID 116612912

IUPAC2,3-dihydro-1H-isoindol-5-yl(5-oxaspiro[3.5]nonan-8-yl)methanone
SMILESO=C(c1ccc2c(c1)CNC2)C1CCOC2(CCC2)C1
InChIInChI=1S/C17H21NO2/c19-16(12-2-3-14-10-18-11-15(14)8-12)13-4-7-20-17(9-13)5-1-6-17/h2-3,8,13,18H,1,4-7,9-11H2
InChIKeyZQOPLXXGHGOYMO-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.82
Rot. Bonds2

About 2,3-dihydro-1H-isoindol-5-yl(5-oxaspiro[3.5]nonan-8-yl)methanone

2,3-dihydro-1H-isoindol-5-yl(5-oxaspiro[3.5]nonan-8-yl)methanone (PubChem CID 116612912) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2,3-dihydro-1H-isoindol-5-yl(5-oxaspiro[3.5]nonan-8-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-isoindol-5-yl(5-oxaspiro[3.5]nonan-8-yl)methanone
PubChem CID116612912
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2,3-dihydro-1H-isoindol-5-yl(5-oxaspiro[3.5]nonan-8-yl)methanone
SMILESO=C(c1ccc2c(c1)CNC2)C1CCOC2(CCC2)C1
InChIInChI=1S/C17H21NO2/c19-16(12-2-3-14-10-18-11-15(14)8-12)13-4-7-20-17(9-13)5-1-6-17/h2-3,8,13,18H,1,4-7,9-11H2
InChIKeyZQOPLXXGHGOYMO-UHFFFAOYSA-N
XLogP2.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

naphthalen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79908870
cyclopentyl(2,3-dihydro-1H-isoindol-5-yl)methanone
CID 116612878
cyclobutyl(2,3-dihydro-1H-isoindol-5-yl)methanone
CID 116613110
(3-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79912683
(4-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 79912669
(4-iodophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 115787374
(3-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79913116
(3,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 79913940
6-oxaspiro[4.5]decan-9-yl(pyridin-4-yl)methanone
CID 79912789
(4-methylsulfanylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 115787795
(4-methoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79913550
(3-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 79912890

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-isoindol-5-yl(5-oxaspiro[3.5]nonan-8-yl)methanone?
The IUPAC name of 2,3-dihydro-1H-isoindol-5-yl(5-oxaspiro[3.5]nonan-8-yl)methanone (CID 116612912) is 2,3-dihydro-1H-isoindol-5-yl(5-oxaspiro[3.5]nonan-8-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-isoindol-5-yl(5-oxaspiro[3.5]nonan-8-yl)methanone?
The canonical SMILES for 2,3-dihydro-1H-isoindol-5-yl(5-oxaspiro[3.5]nonan-8-yl)methanone is O=C(c1ccc2c(c1)CNC2)C1CCOC2(CCC2)C1.
What is the InChIKey of 2,3-dihydro-1H-isoindol-5-yl(5-oxaspiro[3.5]nonan-8-yl)methanone?
The InChIKey is ZQOPLXXGHGOYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c19-16(12-2-3-14-10-18-11-15(14)8-12)13-4-7-20-17(9-13)5-1-6-17/h2-3,8,13,18H,1,4-7,9-11H2.
What are the key properties of 2,3-dihydro-1H-isoindol-5-yl(5-oxaspiro[3.5]nonan-8-yl)methanone?
2,3-dihydro-1H-isoindol-5-yl(5-oxaspiro[3.5]nonan-8-yl)methanone has a molecular weight of 271.36 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-isoindol-5-yl(5-oxaspiro[3.5]nonan-8-yl)methanone is sourced from PubChem (CID 116612912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).