spiro[6,7-dihydro-1H-indazole-5,1'-cyclobutane]-4-one

C10H12N2O — CID 112714436

IUPACspiro[6,7-dihydro-1H-indazole-5,1'-cyclobutane]-4-one
SMILESO=C1c2cn[nH]c2CCC12CCC2
InChIInChI=1S/C10H12N2O/c13-9-7-6-11-12-8(7)2-5-10(9)3-1-4-10/h6H,1-5H2,(H,11,12)
InChIKeyNFRBZVSIFUIGBI-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.71
Rot. Bonds

About spiro[6,7-dihydro-1H-indazole-5,1'-cyclobutane]-4-one

spiro[6,7-dihydro-1H-indazole-5,1'-cyclobutane]-4-one (PubChem CID 112714436) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is spiro[6,7-dihydro-1H-indazole-5,1'-cyclobutane]-4-one.

Molecular Properties

Compound Namespiro[6,7-dihydro-1H-indazole-5,1'-cyclobutane]-4-one
PubChem CID112714436
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Namespiro[6,7-dihydro-1H-indazole-5,1'-cyclobutane]-4-one
SMILESO=C1c2cn[nH]c2CCC12CCC2
InChIInChI=1S/C10H12N2O/c13-9-7-6-11-12-8(7)2-5-10(9)3-1-4-10/h6H,1-5H2,(H,11,12)
InChIKeyNFRBZVSIFUIGBI-UHFFFAOYSA-N
XLogP1.71
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[6,7-dihydro-1H-indazole-5,1'-cyclobutane]-4-one?
The IUPAC name of spiro[6,7-dihydro-1H-indazole-5,1'-cyclobutane]-4-one (CID 112714436) is spiro[6,7-dihydro-1H-indazole-5,1'-cyclobutane]-4-one.
What is the SMILES notation for spiro[6,7-dihydro-1H-indazole-5,1'-cyclobutane]-4-one?
The canonical SMILES for spiro[6,7-dihydro-1H-indazole-5,1'-cyclobutane]-4-one is O=C1c2cn[nH]c2CCC12CCC2.
What is the InChIKey of spiro[6,7-dihydro-1H-indazole-5,1'-cyclobutane]-4-one?
The InChIKey is NFRBZVSIFUIGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c13-9-7-6-11-12-8(7)2-5-10(9)3-1-4-10/h6H,1-5H2,(H,11,12).
What are the key properties of spiro[6,7-dihydro-1H-indazole-5,1'-cyclobutane]-4-one?
spiro[6,7-dihydro-1H-indazole-5,1'-cyclobutane]-4-one has a molecular weight of 176.22 g/mol, XLogP of 1.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[6,7-dihydro-1H-indazole-5,1'-cyclobutane]-4-one is sourced from PubChem (CID 112714436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).