(4-bromothiophen-2-yl)-(1-methylcyclopropyl)methanone

C9H9BrOS — CID 82294562

IUPAC(4-bromothiophen-2-yl)-(1-methylcyclopropyl)methanone
SMILESCC1(C(=O)c2cc(Br)cs2)CC1
InChIInChI=1S/C9H9BrOS/c1-9(2-3-9)8(11)7-4-6(10)5-12-7/h4-5H,2-3H2,1H3
InChIKeyAMURFQPIDNWMHO-UHFFFAOYSA-N
MW245.14 g/mol
LogP3.49
Rot. Bonds2

About (4-bromothiophen-2-yl)-(1-methylcyclopropyl)methanone

(4-bromothiophen-2-yl)-(1-methylcyclopropyl)methanone (PubChem CID 82294562) has the molecular formula C9H9BrOS and a molecular weight of 245.14 g/mol. Its IUPAC name is (4-bromothiophen-2-yl)-(1-methylcyclopropyl)methanone.

Molecular Properties

Compound Name(4-bromothiophen-2-yl)-(1-methylcyclopropyl)methanone
PubChem CID82294562
Molecular FormulaC9H9BrOS
Molecular Weight245.14 g/mol
Exact Mass243.96
IUPAC Name(4-bromothiophen-2-yl)-(1-methylcyclopropyl)methanone
SMILESCC1(C(=O)c2cc(Br)cs2)CC1
InChIInChI=1S/C9H9BrOS/c1-9(2-3-9)8(11)7-4-6(10)5-12-7/h4-5H,2-3H2,1H3
InChIKeyAMURFQPIDNWMHO-UHFFFAOYSA-N
XLogP3.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.14
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-2-yl)-(1-methylcyclopropyl)methanone?
The IUPAC name of (4-bromothiophen-2-yl)-(1-methylcyclopropyl)methanone (CID 82294562) is (4-bromothiophen-2-yl)-(1-methylcyclopropyl)methanone.
What is the SMILES notation for (4-bromothiophen-2-yl)-(1-methylcyclopropyl)methanone?
The canonical SMILES for (4-bromothiophen-2-yl)-(1-methylcyclopropyl)methanone is CC1(C(=O)c2cc(Br)cs2)CC1.
What is the InChIKey of (4-bromothiophen-2-yl)-(1-methylcyclopropyl)methanone?
The InChIKey is AMURFQPIDNWMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrOS/c1-9(2-3-9)8(11)7-4-6(10)5-12-7/h4-5H,2-3H2,1H3.
What are the key properties of (4-bromothiophen-2-yl)-(1-methylcyclopropyl)methanone?
(4-bromothiophen-2-yl)-(1-methylcyclopropyl)methanone has a molecular weight of 245.14 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-2-yl)-(1-methylcyclopropyl)methanone is sourced from PubChem (CID 82294562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).