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

C11H14S — CID 57072674

IUPAC2-methyl-3-propan-2-ylidene-3aH-cyclopenta[b]thiophene
SMILESCC(C)=C1C(C)SC2=CC=CC21
InChIInChI=1S/C11H14S/c1-7(2)11-8(3)12-10-6-4-5-9(10)11/h4-6,8-9H,1-3H3
InChIKeyXOQFIZJSKFHUET-UHFFFAOYSA-N
MW178.30 g/mol
LogP3.53
Rot. Bonds

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

2-methyl-3-propan-2-ylidene-3aH-cyclopenta[b]thiophene (PubChem CID 57072674) has the molecular formula C11H14S and a molecular weight of 178.30 g/mol. Its IUPAC name is 2-methyl-3-propan-2-ylidene-3aH-cyclopenta[b]thiophene.

Molecular Properties

Compound Name2-methyl-3-propan-2-ylidene-3aH-cyclopenta[b]thiophene
PubChem CID57072674
Molecular FormulaC11H14S
Molecular Weight178.30 g/mol
Exact Mass178.08
IUPAC Name2-methyl-3-propan-2-ylidene-3aH-cyclopenta[b]thiophene
SMILESCC(C)=C1C(C)SC2=CC=CC21
InChIInChI=1S/C11H14S/c1-7(2)11-8(3)12-10-6-4-5-9(10)11/h4-6,8-9H,1-3H3
InChIKeyXOQFIZJSKFHUET-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 53.53
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-methyl-3-propan-2-ylidene-3aH-cyclopenta[b]thiophene?
The IUPAC name of 2-methyl-3-propan-2-ylidene-3aH-cyclopenta[b]thiophene (CID 57072674) is 2-methyl-3-propan-2-ylidene-3aH-cyclopenta[b]thiophene.
What is the SMILES notation for 2-methyl-3-propan-2-ylidene-3aH-cyclopenta[b]thiophene?
The canonical SMILES for 2-methyl-3-propan-2-ylidene-3aH-cyclopenta[b]thiophene is CC(C)=C1C(C)SC2=CC=CC21.
What is the InChIKey of 2-methyl-3-propan-2-ylidene-3aH-cyclopenta[b]thiophene?
The InChIKey is XOQFIZJSKFHUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14S/c1-7(2)11-8(3)12-10-6-4-5-9(10)11/h4-6,8-9H,1-3H3.
What are the key properties of 2-methyl-3-propan-2-ylidene-3aH-cyclopenta[b]thiophene?
2-methyl-3-propan-2-ylidene-3aH-cyclopenta[b]thiophene has a molecular weight of 178.30 g/mol, XLogP of 3.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-propan-2-ylidene-3aH-cyclopenta[b]thiophene is sourced from PubChem (CID 57072674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).