2-ethyl-3-propan-2-ylidene-3aH-cyclopenta[b]thiophene

C12H16S — CID 57314447

IUPAC2-ethyl-3-propan-2-ylidene-3aH-cyclopenta[b]thiophene
SMILESCCC1SC2=CC=CC2C1=C(C)C
InChIInChI=1S/C12H16S/c1-4-10-12(8(2)3)9-6-5-7-11(9)13-10/h5-7,9-10H,4H2,1-3H3
InChIKeyRHEDYTPJXIHEFF-UHFFFAOYSA-N
MW192.33 g/mol
LogP3.92
Rot. Bonds1

About 2-ethyl-3-propan-2-ylidene-3aH-cyclopenta[b]thiophene

2-ethyl-3-propan-2-ylidene-3aH-cyclopenta[b]thiophene (PubChem CID 57314447) has the molecular formula C12H16S and a molecular weight of 192.33 g/mol. Its IUPAC name is 2-ethyl-3-propan-2-ylidene-3aH-cyclopenta[b]thiophene.

Molecular Properties

Compound Name2-ethyl-3-propan-2-ylidene-3aH-cyclopenta[b]thiophene
PubChem CID57314447
Molecular FormulaC12H16S
Molecular Weight192.33 g/mol
Exact Mass192.10
IUPAC Name2-ethyl-3-propan-2-ylidene-3aH-cyclopenta[b]thiophene
SMILESCCC1SC2=CC=CC2C1=C(C)C
InChIInChI=1S/C12H16S/c1-4-10-12(8(2)3)9-6-5-7-11(9)13-10/h5-7,9-10H,4H2,1-3H3
InChIKeyRHEDYTPJXIHEFF-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.33
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-propan-2-ylidene-3aH-cyclopenta[b]thiophene?
The IUPAC name of 2-ethyl-3-propan-2-ylidene-3aH-cyclopenta[b]thiophene (CID 57314447) is 2-ethyl-3-propan-2-ylidene-3aH-cyclopenta[b]thiophene.
What is the SMILES notation for 2-ethyl-3-propan-2-ylidene-3aH-cyclopenta[b]thiophene?
The canonical SMILES for 2-ethyl-3-propan-2-ylidene-3aH-cyclopenta[b]thiophene is CCC1SC2=CC=CC2C1=C(C)C.
What is the InChIKey of 2-ethyl-3-propan-2-ylidene-3aH-cyclopenta[b]thiophene?
The InChIKey is RHEDYTPJXIHEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16S/c1-4-10-12(8(2)3)9-6-5-7-11(9)13-10/h5-7,9-10H,4H2,1-3H3.
What are the key properties of 2-ethyl-3-propan-2-ylidene-3aH-cyclopenta[b]thiophene?
2-ethyl-3-propan-2-ylidene-3aH-cyclopenta[b]thiophene has a molecular weight of 192.33 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-propan-2-ylidene-3aH-cyclopenta[b]thiophene is sourced from PubChem (CID 57314447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).