1,3-dipropyl-1H-cyclopenta[c]thiophene

C13H18S — CID 21095417

IUPAC1,3-dipropyl-1H-cyclopenta[c]thiophene
SMILESCCCC1=C2C=CC=C2C(CCC)S1
InChIInChI=1S/C13H18S/c1-3-6-12-10-8-5-9-11(10)13(14-12)7-4-2/h5,8-9,12H,3-4,6-7H2,1-2H3
InChIKeyNPYKWRFPABHDNZ-UHFFFAOYSA-N
MW206.35 g/mol
LogP4.45
Rot. Bonds4

About 1,3-dipropyl-1H-cyclopenta[c]thiophene

1,3-dipropyl-1H-cyclopenta[c]thiophene (PubChem CID 21095417) has the molecular formula C13H18S and a molecular weight of 206.35 g/mol. Its IUPAC name is 1,3-dipropyl-1H-cyclopenta[c]thiophene.

Molecular Properties

Compound Name1,3-dipropyl-1H-cyclopenta[c]thiophene
PubChem CID21095417
Molecular FormulaC13H18S
Molecular Weight206.35 g/mol
Exact Mass206.11
IUPAC Name1,3-dipropyl-1H-cyclopenta[c]thiophene
SMILESCCCC1=C2C=CC=C2C(CCC)S1
InChIInChI=1S/C13H18S/c1-3-6-12-10-8-5-9-11(10)13(14-12)7-4-2/h5,8-9,12H,3-4,6-7H2,1-2H3
InChIKeyNPYKWRFPABHDNZ-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.35
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dipropyl-1H-cyclopenta[c]thiophene?
The IUPAC name of 1,3-dipropyl-1H-cyclopenta[c]thiophene (CID 21095417) is 1,3-dipropyl-1H-cyclopenta[c]thiophene.
What is the SMILES notation for 1,3-dipropyl-1H-cyclopenta[c]thiophene?
The canonical SMILES for 1,3-dipropyl-1H-cyclopenta[c]thiophene is CCCC1=C2C=CC=C2C(CCC)S1.
What is the InChIKey of 1,3-dipropyl-1H-cyclopenta[c]thiophene?
The InChIKey is NPYKWRFPABHDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18S/c1-3-6-12-10-8-5-9-11(10)13(14-12)7-4-2/h5,8-9,12H,3-4,6-7H2,1-2H3.
What are the key properties of 1,3-dipropyl-1H-cyclopenta[c]thiophene?
1,3-dipropyl-1H-cyclopenta[c]thiophene has a molecular weight of 206.35 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dipropyl-1H-cyclopenta[c]thiophene is sourced from PubChem (CID 21095417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).