(6R,7R)-7-naphthalen-1-yl-2-oxaspiro[3.3]heptane-6-carbonitrile

C17H15NO — CID 172635840

IUPAC(6R,7R)-7-naphthalen-1-yl-2-oxaspiro[3.3]heptane-6-carbonitrile
SMILESN#C[C@@H]1CC2(COC2)[C@H]1c1cccc2ccccc12
InChIInChI=1S/C17H15NO/c18-9-13-8-17(10-19-11-17)16(13)15-7-3-5-12-4-1-2-6-14(12)15/h1-7,13,16H,8,10-11H2/t13-,16+/m0/s1
InChIKeyXOUKGPSSBIATHS-XJKSGUPXSA-N
MW249.31 g/mol
LogP3.48
Rot. Bonds1

About (6R,7R)-7-naphthalen-1-yl-2-oxaspiro[3.3]heptane-6-carbonitrile

(6R,7R)-7-naphthalen-1-yl-2-oxaspiro[3.3]heptane-6-carbonitrile (PubChem CID 172635840) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is (6R,7R)-7-naphthalen-1-yl-2-oxaspiro[3.3]heptane-6-carbonitrile.

Molecular Properties

Compound Name(6R,7R)-7-naphthalen-1-yl-2-oxaspiro[3.3]heptane-6-carbonitrile
PubChem CID172635840
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name(6R,7R)-7-naphthalen-1-yl-2-oxaspiro[3.3]heptane-6-carbonitrile
SMILESN#C[C@@H]1CC2(COC2)[C@H]1c1cccc2ccccc12
InChIInChI=1S/C17H15NO/c18-9-13-8-17(10-19-11-17)16(13)15-7-3-5-12-4-1-2-6-14(12)15/h1-7,13,16H,8,10-11H2/t13-,16+/m0/s1
InChIKeyXOUKGPSSBIATHS-XJKSGUPXSA-N
XLogP3.48
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-2-(Hydroxymethyl)-1-(2-naphthyl)cyclopropanecarbonitrile
CID 59683689
1-(Naphthalen-1-yl)spiro[3.3]heptane-2-carbonitrile
CID 172635801
5-(Naphthalen-2-yl)-2-oxaspiro[3.3]heptane-6-carbonitrile
CID 172635839
5-([1,1'-Biphenyl]-4-yl)-2-oxaspiro[3.3]heptane-6-carbonitrile
CID 172635841
5-(Naphthalen-2-yl)-6-phenyl-2-oxaspiro[3.3]heptane
CID 172635855
5-(Naphthalen-2-yl)-6-(p-tolyl)-2-oxaspiro[3.3]heptane
CID 172635856
5-(Naphthalen-2-yl)-6,6-diphenyl-2-oxaspiro[3.3]heptane
CID 172635866
cis-(1R,2S)-2-(hydroxymethyl)-1-naphthalen-1-ylcyclopropane-1-carbonitrile
CID 15522502
2-(Hydroxymethyl)-1-naphthalen-1-ylcyclopropane-1-carbonitrile
CID 73197418
trans-(1S,2S)-1-(4-fluoronaphthalen-1-yl)-2-(hydroxymethyl)cyclopropane-1-carbonitrile
CID 125505060
cis-(1S,2R)-1-(4-fluoronaphthalen-1-yl)-2-(hydroxymethyl)cyclopropane-1-carbonitrile
CID 125505061
cis-(1R,2S)-1-(4-fluoronaphthalen-1-yl)-2-(hydroxymethyl)cyclopropane-1-carbonitrile
CID 125505062

Frequently Asked Questions

What is the IUPAC name of (6R,7R)-7-naphthalen-1-yl-2-oxaspiro[3.3]heptane-6-carbonitrile?
The IUPAC name of (6R,7R)-7-naphthalen-1-yl-2-oxaspiro[3.3]heptane-6-carbonitrile (CID 172635840) is (6R,7R)-7-naphthalen-1-yl-2-oxaspiro[3.3]heptane-6-carbonitrile.
What is the SMILES notation for (6R,7R)-7-naphthalen-1-yl-2-oxaspiro[3.3]heptane-6-carbonitrile?
The canonical SMILES for (6R,7R)-7-naphthalen-1-yl-2-oxaspiro[3.3]heptane-6-carbonitrile is N#C[C@@H]1CC2(COC2)[C@H]1c1cccc2ccccc12.
What is the InChIKey of (6R,7R)-7-naphthalen-1-yl-2-oxaspiro[3.3]heptane-6-carbonitrile?
The InChIKey is XOUKGPSSBIATHS-XJKSGUPXSA-N. The full InChI is InChI=1S/C17H15NO/c18-9-13-8-17(10-19-11-17)16(13)15-7-3-5-12-4-1-2-6-14(12)15/h1-7,13,16H,8,10-11H2/t13-,16+/m0/s1.
What are the key properties of (6R,7R)-7-naphthalen-1-yl-2-oxaspiro[3.3]heptane-6-carbonitrile?
(6R,7R)-7-naphthalen-1-yl-2-oxaspiro[3.3]heptane-6-carbonitrile has a molecular weight of 249.31 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R)-7-naphthalen-1-yl-2-oxaspiro[3.3]heptane-6-carbonitrile is sourced from PubChem (CID 172635840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).