3-methyl-2-pent-1-en-2-ylthiophene

C10H14S — CID 143333481

IUPAC3-methyl-2-pent-1-en-2-ylthiophene
SMILESC=C(CCC)c1sccc1C
InChIInChI=1S/C10H14S/c1-4-5-8(2)10-9(3)6-7-11-10/h6-7H,2,4-5H2,1,3H3
InChIKeyIZFMMCLEESDYFT-UHFFFAOYSA-N
MW166.29 g/mol
LogP3.87
Rot. Bonds3

About 3-methyl-2-pent-1-en-2-ylthiophene

3-methyl-2-pent-1-en-2-ylthiophene (PubChem CID 143333481) has the molecular formula C10H14S and a molecular weight of 166.29 g/mol. Its IUPAC name is 3-methyl-2-pent-1-en-2-ylthiophene.

Molecular Properties

Compound Name3-methyl-2-pent-1-en-2-ylthiophene
PubChem CID143333481
Molecular FormulaC10H14S
Molecular Weight166.29 g/mol
Exact Mass166.08
IUPAC Name3-methyl-2-pent-1-en-2-ylthiophene
SMILESC=C(CCC)c1sccc1C
InChIInChI=1S/C10H14S/c1-4-5-8(2)10-9(3)6-7-11-10/h6-7H,2,4-5H2,1,3H3
InChIKeyIZFMMCLEESDYFT-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.29
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-methylthiophen-2-yl)heptan-1-one
CID 114752163
3-methyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide
CID 114618529
3-amino-1-(3-methylthiophen-2-yl)hexan-1-one
CID 116607807
1-(3-methylthiophen-2-yl)heptan-4-one
CID 83929160
3-methyl-1-(3-methylthiophen-2-yl)hexan-1-one
CID 114968690
2-ethyl-2-methoxy-1-(3-methylthiophen-2-yl)butan-1-one
CID 116747596
N-butyl-N,3-dimethylthiophene-2-carboxamide
CID 86978133
N-(aminomethyl)-3-methylthiophene-2-carboxamide
CID 169257485
1-(3-methylthiophen-2-yl)prop-2-en-1-one
CID 83957669
N-(2-but-1-en-2-ylthiophen-3-yl)methanimine
CID 167050150
ethane;3-methylthiophene-2-carboxylic acid
CID 142138544
N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 60651297

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-pent-1-en-2-ylthiophene?
The IUPAC name of 3-methyl-2-pent-1-en-2-ylthiophene (CID 143333481) is 3-methyl-2-pent-1-en-2-ylthiophene.
What is the SMILES notation for 3-methyl-2-pent-1-en-2-ylthiophene?
The canonical SMILES for 3-methyl-2-pent-1-en-2-ylthiophene is C=C(CCC)c1sccc1C.
What is the InChIKey of 3-methyl-2-pent-1-en-2-ylthiophene?
The InChIKey is IZFMMCLEESDYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14S/c1-4-5-8(2)10-9(3)6-7-11-10/h6-7H,2,4-5H2,1,3H3.
What are the key properties of 3-methyl-2-pent-1-en-2-ylthiophene?
3-methyl-2-pent-1-en-2-ylthiophene has a molecular weight of 166.29 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-pent-1-en-2-ylthiophene is sourced from PubChem (CID 143333481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).