(3-chlorothiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone

C12H15ClOS — CID 80530092

IUPAC(3-chlorothiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2sccc2Cl)C1(C)C
InChIInChI=1S/C12H15ClOS/c1-11(2)10(12(11,3)4)8(14)9-7(13)5-6-15-9/h5-6,10H,1-4H3
InChIKeyUOMVENCZBMRZJZ-UHFFFAOYSA-N
MW242.77 g/mol
LogP4.27
Rot. Bonds2

About (3-chlorothiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone

(3-chlorothiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 80530092) has the molecular formula C12H15ClOS and a molecular weight of 242.77 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID80530092
Molecular FormulaC12H15ClOS
Molecular Weight242.77 g/mol
Exact Mass242.05
IUPAC Name(3-chlorothiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2sccc2Cl)C1(C)C
InChIInChI=1S/C12H15ClOS/c1-11(2)10(12(11,3)4)8(14)9-7(13)5-6-15-9/h5-6,10H,1-4H3
InChIKeyUOMVENCZBMRZJZ-UHFFFAOYSA-N
XLogP4.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.77
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chlorothiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 130698397
(3-chlorothiophen-2-yl)-(2,2-dimethylcyclopentyl)methanone
CID 107176625
(3-chlorothiophen-2-yl)-cyclopentylmethanone
CID 80530065
(3,4-dibromothiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 79601903
2-(3-chlorothiophene-2-carbonyl)cyclopropane-1-carboxylic acid
CID 22939230
(3-chlorothiophen-2-yl)-(1,4-dimethylpiperazin-2-yl)methanone
CID 107359394
(3-chlorothiophen-2-yl)-(thiolan-3-yl)methanone
CID 115825950
(3-chlorothiophen-2-yl)-(3,5-dimethyl-1-adamantyl)methanone
CID 80528899
(3-chlorothiophen-2-yl)-(1,4-dithian-2-yl)methanone
CID 107359400
1-(3-chlorothiophen-2-yl)-2,2-difluoropropan-1-one
CID 130626646
(3-chlorothiophen-2-yl)-(4-methylthiomorpholin-3-yl)methanone
CID 107359505
4-(3-chlorothiophene-2-carbonyl)piperidine-1-carboxylic acid
CID 123401264

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of (3-chlorothiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 80530092) is (3-chlorothiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for (3-chlorothiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for (3-chlorothiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone is CC1(C)C(C(=O)c2sccc2Cl)C1(C)C.
What is the InChIKey of (3-chlorothiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is UOMVENCZBMRZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClOS/c1-11(2)10(12(11,3)4)8(14)9-7(13)5-6-15-9/h5-6,10H,1-4H3.
What are the key properties of (3-chlorothiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
(3-chlorothiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 242.77 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 80530092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).