1-(1-methylspiro[2H-indole-3,4'-thiolane]-2'-yl)ethenol

C14H17NOS — CID 143815376

IUPAC1-(1-methylspiro[2H-indole-3,4'-thiolane]-2'-yl)ethenol
SMILESC=C(O)C1CC2(CS1)CN(C)c1ccccc12
InChIInChI=1S/C14H17NOS/c1-10(16)13-7-14(9-17-13)8-15(2)12-6-4-3-5-11(12)14/h3-6,13,16H,1,7-9H2,2H3
InChIKeyPEZLRZGXAQNRMP-UHFFFAOYSA-N
MW247.36 g/mol
LogP2.95
Rot. Bonds1

About 1-(1-methylspiro[2H-indole-3,4'-thiolane]-2'-yl)ethenol

1-(1-methylspiro[2H-indole-3,4'-thiolane]-2'-yl)ethenol (PubChem CID 143815376) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 1-(1-methylspiro[2H-indole-3,4'-thiolane]-2'-yl)ethenol.

Molecular Properties

Compound Name1-(1-methylspiro[2H-indole-3,4'-thiolane]-2'-yl)ethenol
PubChem CID143815376
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name1-(1-methylspiro[2H-indole-3,4'-thiolane]-2'-yl)ethenol
SMILESC=C(O)C1CC2(CS1)CN(C)c1ccccc12
InChIInChI=1S/C14H17NOS/c1-10(16)13-7-14(9-17-13)8-15(2)12-6-4-3-5-11(12)14/h3-6,13,16H,1,7-9H2,2H3
InChIKeyPEZLRZGXAQNRMP-UHFFFAOYSA-N
XLogP2.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylspiro[2H-indole-3,4'-thiolane]-2'-yl)ethenol?
The IUPAC name of 1-(1-methylspiro[2H-indole-3,4'-thiolane]-2'-yl)ethenol (CID 143815376) is 1-(1-methylspiro[2H-indole-3,4'-thiolane]-2'-yl)ethenol.
What is the SMILES notation for 1-(1-methylspiro[2H-indole-3,4'-thiolane]-2'-yl)ethenol?
The canonical SMILES for 1-(1-methylspiro[2H-indole-3,4'-thiolane]-2'-yl)ethenol is C=C(O)C1CC2(CS1)CN(C)c1ccccc12.
What is the InChIKey of 1-(1-methylspiro[2H-indole-3,4'-thiolane]-2'-yl)ethenol?
The InChIKey is PEZLRZGXAQNRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-10(16)13-7-14(9-17-13)8-15(2)12-6-4-3-5-11(12)14/h3-6,13,16H,1,7-9H2,2H3.
What are the key properties of 1-(1-methylspiro[2H-indole-3,4'-thiolane]-2'-yl)ethenol?
1-(1-methylspiro[2H-indole-3,4'-thiolane]-2'-yl)ethenol has a molecular weight of 247.36 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylspiro[2H-indole-3,4'-thiolane]-2'-yl)ethenol is sourced from PubChem (CID 143815376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).