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

C15H19NO — CID 166091607

IUPAC6-tert-butylspiro[1,4-dihydroquinoline-3,1'-cyclopropane]-2-one
SMILESCC(C)(C)c1ccc2c(c1)CC1(CC1)C(=O)N2
InChIInChI=1S/C15H19NO/c1-14(2,3)11-4-5-12-10(8-11)9-15(6-7-15)13(17)16-12/h4-5,8H,6-7,9H2,1-3H3,(H,16,17)
InChIKeyWLCWVXWJXUFWSV-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.26
Rot. Bonds

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

6-tert-butylspiro[1,4-dihydroquinoline-3,1'-cyclopropane]-2-one (PubChem CID 166091607) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 6-tert-butylspiro[1,4-dihydroquinoline-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name6-tert-butylspiro[1,4-dihydroquinoline-3,1'-cyclopropane]-2-one
PubChem CID166091607
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name6-tert-butylspiro[1,4-dihydroquinoline-3,1'-cyclopropane]-2-one
SMILESCC(C)(C)c1ccc2c(c1)CC1(CC1)C(=O)N2
InChIInChI=1S/C15H19NO/c1-14(2,3)11-4-5-12-10(8-11)9-15(6-7-15)13(17)16-12/h4-5,8H,6-7,9H2,1-3H3,(H,16,17)
InChIKeyWLCWVXWJXUFWSV-UHFFFAOYSA-N
XLogP3.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-tert-butylspiro[1,4-dihydroquinoline-3,1'-cyclobutane]-2-one
CID 166091333
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
6-tert-butylspiro[1H-indole-3,4'-oxane]-2-one
CID 168764435
8-(trifluoromethyl)spiro[2,5-dihydro-1,5-benzothiazepine-3,1'-cyclohexane]-4-one
CID 115099873
5-(1-amino-2-hydroxypropan-2-yl)-3,3-dimethyl-1H-indol-2-one
CID 82475951
1'-propan-2-ylspiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one
CID 176678107
8-methoxyspiro[2,5-dihydro-1,5-benzothiazepine-3,1'-cyclopropane]-4-one
CID 115099183
5-tert-butyl-2,2-difluoro-3H-inden-1-one
CID 67190251
7-tert-butyl-1,4-dihydroquinoline-2,3-dione
CID 59151703
2,2,5-tritert-butyl-1,3-dihydroindene
CID 165164993

Frequently Asked Questions

What is the IUPAC name of 6-tert-butylspiro[1,4-dihydroquinoline-3,1'-cyclopropane]-2-one?
The IUPAC name of 6-tert-butylspiro[1,4-dihydroquinoline-3,1'-cyclopropane]-2-one (CID 166091607) is 6-tert-butylspiro[1,4-dihydroquinoline-3,1'-cyclopropane]-2-one.
What is the SMILES notation for 6-tert-butylspiro[1,4-dihydroquinoline-3,1'-cyclopropane]-2-one?
The canonical SMILES for 6-tert-butylspiro[1,4-dihydroquinoline-3,1'-cyclopropane]-2-one is CC(C)(C)c1ccc2c(c1)CC1(CC1)C(=O)N2.
What is the InChIKey of 6-tert-butylspiro[1,4-dihydroquinoline-3,1'-cyclopropane]-2-one?
The InChIKey is WLCWVXWJXUFWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-14(2,3)11-4-5-12-10(8-11)9-15(6-7-15)13(17)16-12/h4-5,8H,6-7,9H2,1-3H3,(H,16,17).
What are the key properties of 6-tert-butylspiro[1,4-dihydroquinoline-3,1'-cyclopropane]-2-one?
6-tert-butylspiro[1,4-dihydroquinoline-3,1'-cyclopropane]-2-one has a molecular weight of 229.32 g/mol, XLogP of 3.26, 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'-cyclopropane]-2-one is sourced from PubChem (CID 166091607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).