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

C11H16S — CID 155737590

IUPAC1-methyl-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]thiophene
SMILESCc1sc(C(C)C)c2c1CCC2
InChIInChI=1S/C11H16S/c1-7(2)11-10-6-4-5-9(10)8(3)12-11/h7H,4-6H2,1-3H3
InChIKeyAMVIBYMLLKAGHD-UHFFFAOYSA-N
MW180.32 g/mol
LogP3.67
Rot. Bonds1

About 1-methyl-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]thiophene

1-methyl-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]thiophene (PubChem CID 155737590) has the molecular formula C11H16S and a molecular weight of 180.32 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]thiophene.

Molecular Properties

Compound Name1-methyl-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]thiophene
PubChem CID155737590
Molecular FormulaC11H16S
Molecular Weight180.32 g/mol
Exact Mass180.10
IUPAC Name1-methyl-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]thiophene
SMILESCc1sc(C(C)C)c2c1CCC2
InChIInChI=1S/C11H16S/c1-7(2)11-10-6-4-5-9(10)8(3)12-11/h7H,4-6H2,1-3H3
InChIKeyAMVIBYMLLKAGHD-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

1,3-dimethyl-5,6-dihydro-4H-cyclopenta[c]thiophene
CID 129040041
3-methyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 123704110
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
1-fluoro-3-methyl-4,5,6,7-tetrahydro-2-benzothiophene
CID 133059066
1-chloro-3-methyl-4,5,6,7-tetrahydro-2-benzothiophene
CID 133059990
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
7-fluoro-4-methyl-5-propan-2-yl-2,3-dihydro-1H-indene
CID 156857587
ethane;3-methyl-2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
CID 143138018
4-[5-(1-methyl-5,6-dihydro-4H-cyclopenta[c]thiophen-3-yl)-2,3-dihydro-1,2,4-oxadiazol-3-yl]phenol
CID 143295717
2,3-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene;ethane
CID 90932941
2-(2-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl)propan-1-amine
CID 142603261

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]thiophene?
The IUPAC name of 1-methyl-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]thiophene (CID 155737590) is 1-methyl-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]thiophene.
What is the SMILES notation for 1-methyl-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]thiophene?
The canonical SMILES for 1-methyl-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]thiophene is Cc1sc(C(C)C)c2c1CCC2.
What is the InChIKey of 1-methyl-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]thiophene?
The InChIKey is AMVIBYMLLKAGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16S/c1-7(2)11-10-6-4-5-9(10)8(3)12-11/h7H,4-6H2,1-3H3.
What are the key properties of 1-methyl-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]thiophene?
1-methyl-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]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 1-methyl-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]thiophene is sourced from PubChem (CID 155737590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).