5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonitrile

C10H11NS — CID 63024024

IUPAC5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonitrile
SMILESN#Cc1cc2c(s1)CCCCC2
InChIInChI=1S/C10H11NS/c11-7-9-6-8-4-2-1-3-5-10(8)12-9/h6H,1-5H2
InChIKeyCJYOIDSZMCVORH-UHFFFAOYSA-N
MW177.27 g/mol
LogP2.89
Rot. Bonds

About 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonitrile

5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonitrile (PubChem CID 63024024) 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-2-carbonitrile.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonitrile
PubChem CID63024024
Molecular FormulaC10H11NS
Molecular Weight177.27 g/mol
Exact Mass177.06
IUPAC Name5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonitrile
SMILESN#Cc1cc2c(s1)CCCCC2
InChIInChI=1S/C10H11NS/c11-7-9-6-8-4-2-1-3-5-10(8)12-9/h6H,1-5H2
InChIKeyCJYOIDSZMCVORH-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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Related Compounds

3-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-ynenitrile
CID 116791019
4-hydroxy-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonitrile
CID 83985704
2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)propanedinitrile
CID 79169023
4-methoxy-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonitrile
CID 83985488
3-methyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)butanenitrile
CID 61312981
3-amino-4-ethyl-5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thiophene-2-carbonitrile
CID 63465237
4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 25236556
2-prop-2-ynyl-4,5,6,7-tetrahydro-1-benzothiophene
CID 147453970
bis(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 140811828
[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate
CID 7650004
[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate
CID 7649986
2-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propane-2-thiol
CID 90743695

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonitrile?
The IUPAC name of 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonitrile (CID 63024024) is 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonitrile.
What is the SMILES notation for 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonitrile?
The canonical SMILES for 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonitrile is N#Cc1cc2c(s1)CCCCC2.
What is the InChIKey of 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonitrile?
The InChIKey is CJYOIDSZMCVORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS/c11-7-9-6-8-4-2-1-3-5-10(8)12-9/h6H,1-5H2.
What are the key properties of 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonitrile?
5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-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-2-carbonitrile is sourced from PubChem (CID 63024024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).