spiro[4,5-dihydro-1H-pyrano[4,3-c]isoquinoline-3,1'-cyclopentane]-6-one

C16H17NO2 — CID 72699601

IUPACspiro[4,5-dihydro-1H-pyrano[4,3-c]isoquinoline-3,1'-cyclopentane]-6-one
SMILESO=c1[nH]c2c(c3ccccc13)COC1(CCCC1)C2
InChIInChI=1S/C16H17NO2/c18-15-12-6-2-1-5-11(12)13-10-19-16(7-3-4-8-16)9-14(13)17-15/h1-2,5-6H,3-4,7-10H2,(H,17,18)
InChIKeyJJQFYDNORRBLSL-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.91
Rot. Bonds

About spiro[4,5-dihydro-1H-pyrano[4,3-c]isoquinoline-3,1'-cyclopentane]-6-one

spiro[4,5-dihydro-1H-pyrano[4,3-c]isoquinoline-3,1'-cyclopentane]-6-one (PubChem CID 72699601) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is spiro[4,5-dihydro-1H-pyrano[4,3-c]isoquinoline-3,1'-cyclopentane]-6-one.

Molecular Properties

Compound Namespiro[4,5-dihydro-1H-pyrano[4,3-c]isoquinoline-3,1'-cyclopentane]-6-one
PubChem CID72699601
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Namespiro[4,5-dihydro-1H-pyrano[4,3-c]isoquinoline-3,1'-cyclopentane]-6-one
SMILESO=c1[nH]c2c(c3ccccc13)COC1(CCCC1)C2
InChIInChI=1S/C16H17NO2/c18-15-12-6-2-1-5-11(12)13-10-19-16(7-3-4-8-16)9-14(13)17-15/h1-2,5-6H,3-4,7-10H2,(H,17,18)
InChIKeyJJQFYDNORRBLSL-UHFFFAOYSA-N
XLogP2.91
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[4,5-dihydro-1H-pyrano[4,3-c]isoquinoline-3,1'-cyclopentane]-6-one?
The IUPAC name of spiro[4,5-dihydro-1H-pyrano[4,3-c]isoquinoline-3,1'-cyclopentane]-6-one (CID 72699601) is spiro[4,5-dihydro-1H-pyrano[4,3-c]isoquinoline-3,1'-cyclopentane]-6-one.
What is the SMILES notation for spiro[4,5-dihydro-1H-pyrano[4,3-c]isoquinoline-3,1'-cyclopentane]-6-one?
The canonical SMILES for spiro[4,5-dihydro-1H-pyrano[4,3-c]isoquinoline-3,1'-cyclopentane]-6-one is O=c1[nH]c2c(c3ccccc13)COC1(CCCC1)C2.
What is the InChIKey of spiro[4,5-dihydro-1H-pyrano[4,3-c]isoquinoline-3,1'-cyclopentane]-6-one?
The InChIKey is JJQFYDNORRBLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c18-15-12-6-2-1-5-11(12)13-10-19-16(7-3-4-8-16)9-14(13)17-15/h1-2,5-6H,3-4,7-10H2,(H,17,18).
What are the key properties of spiro[4,5-dihydro-1H-pyrano[4,3-c]isoquinoline-3,1'-cyclopentane]-6-one?
spiro[4,5-dihydro-1H-pyrano[4,3-c]isoquinoline-3,1'-cyclopentane]-6-one has a molecular weight of 255.32 g/mol, XLogP of 2.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[4,5-dihydro-1H-pyrano[4,3-c]isoquinoline-3,1'-cyclopentane]-6-one is sourced from PubChem (CID 72699601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).