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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).