6-ethynyl-4,4-dimethylspiro[1,3-dihydroquinoline-2,1'-cyclopropane]

C15H17N — CID 142131813

IUPAC6-ethynyl-4,4-dimethylspiro[1,3-dihydroquinoline-2,1'-cyclopropane]
SMILESC#Cc1ccc2c(c1)C(C)(C)CC1(CC1)N2
InChIInChI=1S/C15H17N/c1-4-11-5-6-13-12(9-11)14(2,3)10-15(16-13)7-8-15/h1,5-6,9,16H,7-8,10H2,2-3H3
InChIKeyINZUCAWDEIYHGE-UHFFFAOYSA-N
MW211.31 g/mol
LogP3.29
Rot. Bonds

About 6-ethynyl-4,4-dimethylspiro[1,3-dihydroquinoline-2,1'-cyclopropane]

6-ethynyl-4,4-dimethylspiro[1,3-dihydroquinoline-2,1'-cyclopropane] (PubChem CID 142131813) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is 6-ethynyl-4,4-dimethylspiro[1,3-dihydroquinoline-2,1'-cyclopropane].

Molecular Properties

Compound Name6-ethynyl-4,4-dimethylspiro[1,3-dihydroquinoline-2,1'-cyclopropane]
PubChem CID142131813
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name6-ethynyl-4,4-dimethylspiro[1,3-dihydroquinoline-2,1'-cyclopropane]
SMILESC#Cc1ccc2c(c1)C(C)(C)CC1(CC1)N2
InChIInChI=1S/C15H17N/c1-4-11-5-6-13-12(9-11)14(2,3)10-15(16-13)7-8-15/h1,5-6,9,16H,7-8,10H2,2-3H3
InChIKeyINZUCAWDEIYHGE-UHFFFAOYSA-N
XLogP3.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 6-ethynyl-4,4-dimethylspiro[1,3-dihydroquinoline-2,1'-cyclopropane] 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-ethynyl-4,4-dimethylspiro[1,3-dihydroquinoline-2,1'-cyclopropane]?
The IUPAC name of 6-ethynyl-4,4-dimethylspiro[1,3-dihydroquinoline-2,1'-cyclopropane] (CID 142131813) is 6-ethynyl-4,4-dimethylspiro[1,3-dihydroquinoline-2,1'-cyclopropane].
What is the SMILES notation for 6-ethynyl-4,4-dimethylspiro[1,3-dihydroquinoline-2,1'-cyclopropane]?
The canonical SMILES for 6-ethynyl-4,4-dimethylspiro[1,3-dihydroquinoline-2,1'-cyclopropane] is C#Cc1ccc2c(c1)C(C)(C)CC1(CC1)N2.
What is the InChIKey of 6-ethynyl-4,4-dimethylspiro[1,3-dihydroquinoline-2,1'-cyclopropane]?
The InChIKey is INZUCAWDEIYHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N/c1-4-11-5-6-13-12(9-11)14(2,3)10-15(16-13)7-8-15/h1,5-6,9,16H,7-8,10H2,2-3H3.
What are the key properties of 6-ethynyl-4,4-dimethylspiro[1,3-dihydroquinoline-2,1'-cyclopropane]?
6-ethynyl-4,4-dimethylspiro[1,3-dihydroquinoline-2,1'-cyclopropane] has a molecular weight of 211.31 g/mol, XLogP of 3.29, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethynyl-4,4-dimethylspiro[1,3-dihydroquinoline-2,1'-cyclopropane] is sourced from PubChem (CID 142131813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).