(1-methyl-3,4-dihydroisochromen-1-yl)-(7-oxa-1-azaspiro[3.5]nonan-1-yl)methanone

C18H23NO3 — CID 138055872

IUPAC(1-methyl-3,4-dihydroisochromen-1-yl)-(7-oxa-1-azaspiro[3.5]nonan-1-yl)methanone
SMILESCC1(C(=O)N2CCC23CCOCC3)OCCc2ccccc21
InChIInChI=1S/C18H23NO3/c1-17(15-5-3-2-4-14(15)6-11-22-17)16(20)19-10-7-18(19)8-12-21-13-9-18/h2-5H,6-13H2,1H3
InChIKeyWAKZNTRHVGWHTB-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.26
Rot. Bonds1

About (1-methyl-3,4-dihydroisochromen-1-yl)-(7-oxa-1-azaspiro[3.5]nonan-1-yl)methanone

(1-methyl-3,4-dihydroisochromen-1-yl)-(7-oxa-1-azaspiro[3.5]nonan-1-yl)methanone (PubChem CID 138055872) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is (1-methyl-3,4-dihydroisochromen-1-yl)-(7-oxa-1-azaspiro[3.5]nonan-1-yl)methanone.

Molecular Properties

Compound Name(1-methyl-3,4-dihydroisochromen-1-yl)-(7-oxa-1-azaspiro[3.5]nonan-1-yl)methanone
PubChem CID138055872
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name(1-methyl-3,4-dihydroisochromen-1-yl)-(7-oxa-1-azaspiro[3.5]nonan-1-yl)methanone
SMILESCC1(C(=O)N2CCC23CCOCC3)OCCc2ccccc21
InChIInChI=1S/C18H23NO3/c1-17(15-5-3-2-4-14(15)6-11-22-17)16(20)19-10-7-18(19)8-12-21-13-9-18/h2-5H,6-13H2,1H3
InChIKeyWAKZNTRHVGWHTB-UHFFFAOYSA-N
XLogP2.26
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-3,4-dihydroisochromen-1-yl)-(7-oxa-1-azaspiro[3.5]nonan-1-yl)methanone?
The IUPAC name of (1-methyl-3,4-dihydroisochromen-1-yl)-(7-oxa-1-azaspiro[3.5]nonan-1-yl)methanone (CID 138055872) is (1-methyl-3,4-dihydroisochromen-1-yl)-(7-oxa-1-azaspiro[3.5]nonan-1-yl)methanone.
What is the SMILES notation for (1-methyl-3,4-dihydroisochromen-1-yl)-(7-oxa-1-azaspiro[3.5]nonan-1-yl)methanone?
The canonical SMILES for (1-methyl-3,4-dihydroisochromen-1-yl)-(7-oxa-1-azaspiro[3.5]nonan-1-yl)methanone is CC1(C(=O)N2CCC23CCOCC3)OCCc2ccccc21.
What is the InChIKey of (1-methyl-3,4-dihydroisochromen-1-yl)-(7-oxa-1-azaspiro[3.5]nonan-1-yl)methanone?
The InChIKey is WAKZNTRHVGWHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-17(15-5-3-2-4-14(15)6-11-22-17)16(20)19-10-7-18(19)8-12-21-13-9-18/h2-5H,6-13H2,1H3.
What are the key properties of (1-methyl-3,4-dihydroisochromen-1-yl)-(7-oxa-1-azaspiro[3.5]nonan-1-yl)methanone?
(1-methyl-3,4-dihydroisochromen-1-yl)-(7-oxa-1-azaspiro[3.5]nonan-1-yl)methanone has a molecular weight of 301.39 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-3,4-dihydroisochromen-1-yl)-(7-oxa-1-azaspiro[3.5]nonan-1-yl)methanone is sourced from PubChem (CID 138055872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).