spiro[1H-quinoline-2,1'-cyclobutane]

C12H13N — CID 154342616

IUPACspiro[1H-quinoline-2,1'-cyclobutane]
SMILESC1=CC2(CCC2)Nc2ccccc21
InChIInChI=1S/C12H13N/c1-2-5-11-10(4-1)6-9-12(13-11)7-3-8-12/h1-2,4-6,9,13H,3,7-8H2
InChIKeyPTDNWLJQBYIRRA-UHFFFAOYSA-N
MW171.24 g/mol
LogP3.05
Rot. Bonds

About spiro[1H-quinoline-2,1'-cyclobutane]

spiro[1H-quinoline-2,1'-cyclobutane] (PubChem CID 154342616) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is spiro[1H-quinoline-2,1'-cyclobutane].

Molecular Properties

Compound Namespiro[1H-quinoline-2,1'-cyclobutane]
PubChem CID154342616
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Namespiro[1H-quinoline-2,1'-cyclobutane]
SMILESC1=CC2(CCC2)Nc2ccccc21
InChIInChI=1S/C12H13N/c1-2-5-11-10(4-1)6-9-12(13-11)7-3-8-12/h1-2,4-6,9,13H,3,7-8H2
InChIKeyPTDNWLJQBYIRRA-UHFFFAOYSA-N
XLogP3.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze spiro[1H-quinoline-2,1'-cyclobutane] 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 spiro[1H-quinoline-2,1'-cyclobutane]?
The IUPAC name of spiro[1H-quinoline-2,1'-cyclobutane] (CID 154342616) is spiro[1H-quinoline-2,1'-cyclobutane].
What is the SMILES notation for spiro[1H-quinoline-2,1'-cyclobutane]?
The canonical SMILES for spiro[1H-quinoline-2,1'-cyclobutane] is C1=CC2(CCC2)Nc2ccccc21.
What is the InChIKey of spiro[1H-quinoline-2,1'-cyclobutane]?
The InChIKey is PTDNWLJQBYIRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N/c1-2-5-11-10(4-1)6-9-12(13-11)7-3-8-12/h1-2,4-6,9,13H,3,7-8H2.
What are the key properties of spiro[1H-quinoline-2,1'-cyclobutane]?
spiro[1H-quinoline-2,1'-cyclobutane] has a molecular weight of 171.24 g/mol, XLogP of 3.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1H-quinoline-2,1'-cyclobutane] is sourced from PubChem (CID 154342616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).