2-cyclopropyl-1-thiophen-3-ylpropan-1-one

C10H12OS — CID 114975207

IUPAC2-cyclopropyl-1-thiophen-3-ylpropan-1-one
SMILESCC(C(=O)c1ccsc1)C1CC1
InChIInChI=1S/C10H12OS/c1-7(8-2-3-8)10(11)9-4-5-12-6-9/h4-8H,2-3H2,1H3
InChIKeyYGWWCQZJEFPMKY-UHFFFAOYSA-N
MW180.27 g/mol
LogP2.98
Rot. Bonds3

About 2-cyclopropyl-1-thiophen-3-ylpropan-1-one

2-cyclopropyl-1-thiophen-3-ylpropan-1-one (PubChem CID 114975207) has the molecular formula C10H12OS and a molecular weight of 180.27 g/mol. Its IUPAC name is 2-cyclopropyl-1-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name2-cyclopropyl-1-thiophen-3-ylpropan-1-one
PubChem CID114975207
Molecular FormulaC10H12OS
Molecular Weight180.27 g/mol
Exact Mass180.06
IUPAC Name2-cyclopropyl-1-thiophen-3-ylpropan-1-one
SMILESCC(C(=O)c1ccsc1)C1CC1
InChIInChI=1S/C10H12OS/c1-7(8-2-3-8)10(11)9-4-5-12-6-9/h4-8H,2-3H2,1H3
InChIKeyYGWWCQZJEFPMKY-UHFFFAOYSA-N
XLogP2.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-morpholin-3-yl-1-thiophen-3-ylpropan-1-one
CID 130963896
2-cyclohexyl-N-(2-oxo-2-thiophen-3-ylethyl)propanamide
CID 90371568
2-cyclopropyl-1-(1,2-thiazol-3-yl)propan-1-one
CID 130682365
3-amino-2-methyl-1-thiophen-3-ylpropan-1-one
CID 116564427
N,N-di(propan-2-yl)thiophene-3-carboxamide
CID 50896326
N-(2-amino-2-cyclopropylethyl)thiophene-3-carboxamide
CID 115301128
2-cyclopropyl-1-(furan-3-yl)propan-1-one
CID 114971750
2-bromo-1-thiophen-3-ylbutan-1-one
CID 59598618
(2S)-2-amino-1-thiophen-3-ylbutan-1-one
CID 165468117
2-(thiophene-3-carbonyl)butanamide
CID 90985419
N-[(2S)-2-cyclohexyl-2-hydroxyethyl]thiophene-3-carboxamide
CID 95292148
2-cyclopropyl-1-(3,4-diethoxyphenyl)propan-1-one
CID 83154555

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-thiophen-3-ylpropan-1-one?
The IUPAC name of 2-cyclopropyl-1-thiophen-3-ylpropan-1-one (CID 114975207) is 2-cyclopropyl-1-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 2-cyclopropyl-1-thiophen-3-ylpropan-1-one?
The canonical SMILES for 2-cyclopropyl-1-thiophen-3-ylpropan-1-one is CC(C(=O)c1ccsc1)C1CC1.
What is the InChIKey of 2-cyclopropyl-1-thiophen-3-ylpropan-1-one?
The InChIKey is YGWWCQZJEFPMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12OS/c1-7(8-2-3-8)10(11)9-4-5-12-6-9/h4-8H,2-3H2,1H3.
What are the key properties of 2-cyclopropyl-1-thiophen-3-ylpropan-1-one?
2-cyclopropyl-1-thiophen-3-ylpropan-1-one has a molecular weight of 180.27 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 114975207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).