3-methyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene

C11H16S — CID 123704110

IUPAC3-methyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene
SMILESCc1c(C(C)C)sc2c1CCC2
InChIInChI=1S/C11H16S/c1-7(2)11-8(3)9-5-4-6-10(9)12-11/h7H,4-6H2,1-3H3
InChIKeySLTFQKWYXJYTSM-UHFFFAOYSA-N
MW180.32 g/mol
LogP3.67
Rot. Bonds1

About 3-methyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene

3-methyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene (PubChem CID 123704110) has the molecular formula C11H16S and a molecular weight of 180.32 g/mol. Its IUPAC name is 3-methyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene.

Molecular Properties

Compound Name3-methyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene
PubChem CID123704110
Molecular FormulaC11H16S
Molecular Weight180.32 g/mol
Exact Mass180.10
IUPAC Name3-methyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene
SMILESCc1c(C(C)C)sc2c1CCC2
InChIInChI=1S/C11H16S/c1-7(2)11-8(3)9-5-4-6-10(9)12-11/h7H,4-6H2,1-3H3
InChIKeySLTFQKWYXJYTSM-UHFFFAOYSA-N
XLogP3.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.32
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;3-methyl-2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
CID 143138018
3-ethyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 155737642
3-methyl-2-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran
CID 70888591
1-methyl-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]thiophene
CID 155737590
2,3-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene;ethane
CID 90932941
1,3-dimethyl-4-[(2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)methyl]-5,6-dihydro-4H-cyclopenta[c]thiophene
CID 155400717
2-butan-2-yl-3-fluoro-4,5,6,7-tetrahydro-1-benzothiophene
CID 143781055
(2S)-2-amino-4-methyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanamide
CID 119803436
4-amino-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanamide;hydrochloride
CID 120563386
1-[2-(3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]cyclopropan-1-amine
CID 105478508
2-(3-bromo-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanoic acid
CID 84814666
2-amino-3-methyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanamide
CID 119803418

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene?
The IUPAC name of 3-methyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene (CID 123704110) is 3-methyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene.
What is the SMILES notation for 3-methyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene?
The canonical SMILES for 3-methyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene is Cc1c(C(C)C)sc2c1CCC2.
What is the InChIKey of 3-methyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene?
The InChIKey is SLTFQKWYXJYTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16S/c1-7(2)11-8(3)9-5-4-6-10(9)12-11/h7H,4-6H2,1-3H3.
What are the key properties of 3-methyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene?
3-methyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene has a molecular weight of 180.32 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene is sourced from PubChem (CID 123704110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).