phenyl(spiro[2H-indole-3,1'-cyclobutane]-1-yl)methanone

C18H17NO — CID 166223400

IUPACphenyl(spiro[2H-indole-3,1'-cyclobutane]-1-yl)methanone
SMILESO=C(c1ccccc1)N1CC2(CCC2)c2ccccc21
InChIInChI=1S/C18H17NO/c20-17(14-7-2-1-3-8-14)19-13-18(11-6-12-18)15-9-4-5-10-16(15)19/h1-5,7-10H,6,11-13H2
InChIKeyPXSPBZAOFNIVSO-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.77
Rot. Bonds1

About phenyl(spiro[2H-indole-3,1'-cyclobutane]-1-yl)methanone

phenyl(spiro[2H-indole-3,1'-cyclobutane]-1-yl)methanone (PubChem CID 166223400) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is phenyl(spiro[2H-indole-3,1'-cyclobutane]-1-yl)methanone.

Molecular Properties

Compound Namephenyl(spiro[2H-indole-3,1'-cyclobutane]-1-yl)methanone
PubChem CID166223400
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Namephenyl(spiro[2H-indole-3,1'-cyclobutane]-1-yl)methanone
SMILESO=C(c1ccccc1)N1CC2(CCC2)c2ccccc21
InChIInChI=1S/C18H17NO/c20-17(14-7-2-1-3-8-14)19-13-18(11-6-12-18)15-9-4-5-10-16(15)19/h1-5,7-10H,6,11-13H2
InChIKeyPXSPBZAOFNIVSO-UHFFFAOYSA-N
XLogP3.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of phenyl(spiro[2H-indole-3,1'-cyclobutane]-1-yl)methanone?
The IUPAC name of phenyl(spiro[2H-indole-3,1'-cyclobutane]-1-yl)methanone (CID 166223400) is phenyl(spiro[2H-indole-3,1'-cyclobutane]-1-yl)methanone.
What is the SMILES notation for phenyl(spiro[2H-indole-3,1'-cyclobutane]-1-yl)methanone?
The canonical SMILES for phenyl(spiro[2H-indole-3,1'-cyclobutane]-1-yl)methanone is O=C(c1ccccc1)N1CC2(CCC2)c2ccccc21.
What is the InChIKey of phenyl(spiro[2H-indole-3,1'-cyclobutane]-1-yl)methanone?
The InChIKey is PXSPBZAOFNIVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c20-17(14-7-2-1-3-8-14)19-13-18(11-6-12-18)15-9-4-5-10-16(15)19/h1-5,7-10H,6,11-13H2.
What are the key properties of phenyl(spiro[2H-indole-3,1'-cyclobutane]-1-yl)methanone?
phenyl(spiro[2H-indole-3,1'-cyclobutane]-1-yl)methanone has a molecular weight of 263.34 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(spiro[2H-indole-3,1'-cyclobutane]-1-yl)methanone is sourced from PubChem (CID 166223400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).