6-tert-butylspiro[1,4-dihydroquinoline-3,1'-cyclobutane]-2-one

C16H21NO — CID 166091333

IUPAC6-tert-butylspiro[1,4-dihydroquinoline-3,1'-cyclobutane]-2-one
SMILESCC(C)(C)c1ccc2c(c1)CC1(CCC1)C(=O)N2
InChIInChI=1S/C16H21NO/c1-15(2,3)12-5-6-13-11(9-12)10-16(7-4-8-16)14(18)17-13/h5-6,9H,4,7-8,10H2,1-3H3,(H,17,18)
InChIKeyCTCLVADEODYSBZ-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.65
Rot. Bonds

About 6-tert-butylspiro[1,4-dihydroquinoline-3,1'-cyclobutane]-2-one

6-tert-butylspiro[1,4-dihydroquinoline-3,1'-cyclobutane]-2-one (PubChem CID 166091333) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 6-tert-butylspiro[1,4-dihydroquinoline-3,1'-cyclobutane]-2-one.

Molecular Properties

Compound Name6-tert-butylspiro[1,4-dihydroquinoline-3,1'-cyclobutane]-2-one
PubChem CID166091333
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name6-tert-butylspiro[1,4-dihydroquinoline-3,1'-cyclobutane]-2-one
SMILESCC(C)(C)c1ccc2c(c1)CC1(CCC1)C(=O)N2
InChIInChI=1S/C16H21NO/c1-15(2,3)12-5-6-13-11(9-12)10-16(7-4-8-16)14(18)17-13/h5-6,9H,4,7-8,10H2,1-3H3,(H,17,18)
InChIKeyCTCLVADEODYSBZ-UHFFFAOYSA-N
XLogP3.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-tert-butylspiro[1,4-dihydroquinoline-3,1'-cyclopropane]-2-one
CID 166091607
6-tert-butyl-3-ethyl-3-methyl-1,4-dihydroquinolin-2-one
CID 166091623
5-tert-butyl-5'-hydroxyspiro[1,3-dihydroindene-2,3'-pyrrolidine]-2'-one
CID 170132557
7-tert-butylspiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-one
CID 82132378
8-(trifluoromethyl)spiro[2,5-dihydro-1,5-benzothiazepine-3,1'-cyclohexane]-4-one
CID 115099873
1'-methylspiro[1,4-dihydro-1,6-naphthyridine-3,4'-azepane]-2-one
CID 143217136
5-[2-methyl-1-(methylaminomethylamino)propan-2-yl]-1,3-dihydroindol-2-one
CID 115227485
5-[1-(hydroxymethylamino)-2-methylpropan-2-yl]-1,3-dihydroindol-2-one
CID 115229633
6-tert-butylspiro[1H-indole-3,4'-oxane]-2-one
CID 168764435
5-methyl-2-oxospiro[1,4-dihydro-1,5-benzodiazepine-3,1'-cyclobutane]-7-carboxylic acid
CID 115100006
tert-butyl (3S)-2-oxospiro[1,4-dihydroquinoline-3,3'-piperidine]-1'-carboxylate
CID 86318513
5-(1-amino-2-hydroxypropan-2-yl)-3,3-dimethyl-1H-indol-2-one
CID 82475951

Frequently Asked Questions

What is the IUPAC name of 6-tert-butylspiro[1,4-dihydroquinoline-3,1'-cyclobutane]-2-one?
The IUPAC name of 6-tert-butylspiro[1,4-dihydroquinoline-3,1'-cyclobutane]-2-one (CID 166091333) is 6-tert-butylspiro[1,4-dihydroquinoline-3,1'-cyclobutane]-2-one.
What is the SMILES notation for 6-tert-butylspiro[1,4-dihydroquinoline-3,1'-cyclobutane]-2-one?
The canonical SMILES for 6-tert-butylspiro[1,4-dihydroquinoline-3,1'-cyclobutane]-2-one is CC(C)(C)c1ccc2c(c1)CC1(CCC1)C(=O)N2.
What is the InChIKey of 6-tert-butylspiro[1,4-dihydroquinoline-3,1'-cyclobutane]-2-one?
The InChIKey is CTCLVADEODYSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-15(2,3)12-5-6-13-11(9-12)10-16(7-4-8-16)14(18)17-13/h5-6,9H,4,7-8,10H2,1-3H3,(H,17,18).
What are the key properties of 6-tert-butylspiro[1,4-dihydroquinoline-3,1'-cyclobutane]-2-one?
6-tert-butylspiro[1,4-dihydroquinoline-3,1'-cyclobutane]-2-one has a molecular weight of 243.35 g/mol, XLogP of 3.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylspiro[1,4-dihydroquinoline-3,1'-cyclobutane]-2-one is sourced from PubChem (CID 166091333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).