5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile

C10H11NS — CID 3715508

IUPAC5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
SMILESN#Cc1csc2c1CCCCC2
InChIInChI=1S/C10H11NS/c11-6-8-7-12-10-5-3-1-2-4-9(8)10/h7H,1-5H2
InChIKeyRNFOWSMMTDZSPZ-UHFFFAOYSA-N
MW177.27 g/mol
LogP2.89
Rot. Bonds

About 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile

5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile (PubChem CID 3715508) has the molecular formula C10H11NS and a molecular weight of 177.27 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
PubChem CID3715508
Molecular FormulaC10H11NS
Molecular Weight177.27 g/mol
Exact Mass177.06
IUPAC Name5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
SMILESN#Cc1csc2c1CCCCC2
InChIInChI=1S/C10H11NS/c11-6-8-7-12-10-5-3-1-2-4-9(8)10/h7H,1-5H2
InChIKeyRNFOWSMMTDZSPZ-UHFFFAOYSA-N
XLogP2.89
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile?
The IUPAC name of 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile (CID 3715508) is 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile.
What is the SMILES notation for 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile?
The canonical SMILES for 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile is N#Cc1csc2c1CCCCC2.
What is the InChIKey of 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile?
The InChIKey is RNFOWSMMTDZSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS/c11-6-8-7-12-10-5-3-1-2-4-9(8)10/h7H,1-5H2.
What are the key properties of 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile?
5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile has a molecular weight of 177.27 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile is sourced from PubChem (CID 3715508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).