1-oxospiro[2,4-dihydronaphthalene-3,1'-cyclopentane]-2-carbonitrile

C15H15NO — CID 576312

IUPAC1-oxospiro[2,4-dihydronaphthalene-3,1'-cyclopentane]-2-carbonitrile
SMILESN#CC1C(=O)c2ccccc2CC12CCCC2
InChIInChI=1S/C15H15NO/c16-10-13-14(17)12-6-2-1-5-11(12)9-15(13)7-3-4-8-15/h1-2,5-6,13H,3-4,7-9H2
InChIKeyACXBTIAOZQVLNL-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.13
Rot. Bonds

About 1-oxospiro[2,4-dihydronaphthalene-3,1'-cyclopentane]-2-carbonitrile

1-oxospiro[2,4-dihydronaphthalene-3,1'-cyclopentane]-2-carbonitrile (PubChem CID 576312) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-oxospiro[2,4-dihydronaphthalene-3,1'-cyclopentane]-2-carbonitrile.

Molecular Properties

Compound Name1-oxospiro[2,4-dihydronaphthalene-3,1'-cyclopentane]-2-carbonitrile
PubChem CID576312
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name1-oxospiro[2,4-dihydronaphthalene-3,1'-cyclopentane]-2-carbonitrile
SMILESN#CC1C(=O)c2ccccc2CC12CCCC2
InChIInChI=1S/C15H15NO/c16-10-13-14(17)12-6-2-1-5-11(12)9-15(13)7-3-4-8-15/h1-2,5-6,13H,3-4,7-9H2
InChIKeyACXBTIAOZQVLNL-UHFFFAOYSA-N
XLogP3.13
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-oxospiro[2,4-dihydronaphthalene-3,1'-cyclopentane]-2-carbonitrile?
The IUPAC name of 1-oxospiro[2,4-dihydronaphthalene-3,1'-cyclopentane]-2-carbonitrile (CID 576312) is 1-oxospiro[2,4-dihydronaphthalene-3,1'-cyclopentane]-2-carbonitrile.
What is the SMILES notation for 1-oxospiro[2,4-dihydronaphthalene-3,1'-cyclopentane]-2-carbonitrile?
The canonical SMILES for 1-oxospiro[2,4-dihydronaphthalene-3,1'-cyclopentane]-2-carbonitrile is N#CC1C(=O)c2ccccc2CC12CCCC2.
What is the InChIKey of 1-oxospiro[2,4-dihydronaphthalene-3,1'-cyclopentane]-2-carbonitrile?
The InChIKey is ACXBTIAOZQVLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c16-10-13-14(17)12-6-2-1-5-11(12)9-15(13)7-3-4-8-15/h1-2,5-6,13H,3-4,7-9H2.
What are the key properties of 1-oxospiro[2,4-dihydronaphthalene-3,1'-cyclopentane]-2-carbonitrile?
1-oxospiro[2,4-dihydronaphthalene-3,1'-cyclopentane]-2-carbonitrile has a molecular weight of 225.29 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxospiro[2,4-dihydronaphthalene-3,1'-cyclopentane]-2-carbonitrile is sourced from PubChem (CID 576312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).