(5-ethylthiophen-2-yl)-(1H-pyrrol-3-yl)methanone

C11H11NOS — CID 63747836

IUPAC(5-ethylthiophen-2-yl)-(1H-pyrrol-3-yl)methanone
SMILESCCc1ccc(C(=O)c2cc[nH]c2)s1
InChIInChI=1S/C11H11NOS/c1-2-9-3-4-10(14-9)11(13)8-5-6-12-7-8/h3-7,12H,2H2,1H3
InChIKeyHFKXEXRXEJNPOY-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.87
Rot. Bonds3

About (5-ethylthiophen-2-yl)-(1H-pyrrol-3-yl)methanone

(5-ethylthiophen-2-yl)-(1H-pyrrol-3-yl)methanone (PubChem CID 63747836) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is (5-ethylthiophen-2-yl)-(1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Name(5-ethylthiophen-2-yl)-(1H-pyrrol-3-yl)methanone
PubChem CID63747836
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name(5-ethylthiophen-2-yl)-(1H-pyrrol-3-yl)methanone
SMILESCCc1ccc(C(=O)c2cc[nH]c2)s1
InChIInChI=1S/C11H11NOS/c1-2-9-3-4-10(14-9)11(13)8-5-6-12-7-8/h3-7,12H,2H2,1H3
InChIKeyHFKXEXRXEJNPOY-UHFFFAOYSA-N
XLogP2.87
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-ethylthiophen-2-yl)-(4-methoxyphenyl)methanone
CID 43160962
(5-ethylthiophen-2-yl)-thiophen-3-ylmethanone
CID 13356126
(4,5-dimethylthiophen-2-yl)-(1H-pyrrol-3-yl)methanone
CID 65237167
(5-ethylthiophen-2-yl)-(3-iodophenyl)methanone
CID 43160910
[4-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanone
CID 43160922
(5-ethylthiophen-2-yl)-(3-propylphenyl)methanone
CID 115812121
(5-ethylthiophen-2-yl)-(2,4,6-trimethylphenyl)methanone
CID 43338856
(5-ethylthiophen-2-yl)-(5-methoxy-3-pyridinyl)methanone
CID 115793463
1-(5-ethylthiophen-2-yl)-2-methylpropan-1-one
CID 43131948
2-ethyl-1-(5-ethylthiophen-2-yl)butan-1-one
CID 43160928
N-(4-bromophenyl)-5-ethylthiophene-2-carboxamide
CID 36676613
5-ethyl-N-(1H-imidazol-2-yl)thiophene-2-carboxamide
CID 60967803

Frequently Asked Questions

What is the IUPAC name of (5-ethylthiophen-2-yl)-(1H-pyrrol-3-yl)methanone?
The IUPAC name of (5-ethylthiophen-2-yl)-(1H-pyrrol-3-yl)methanone (CID 63747836) is (5-ethylthiophen-2-yl)-(1H-pyrrol-3-yl)methanone.
What is the SMILES notation for (5-ethylthiophen-2-yl)-(1H-pyrrol-3-yl)methanone?
The canonical SMILES for (5-ethylthiophen-2-yl)-(1H-pyrrol-3-yl)methanone is CCc1ccc(C(=O)c2cc[nH]c2)s1.
What is the InChIKey of (5-ethylthiophen-2-yl)-(1H-pyrrol-3-yl)methanone?
The InChIKey is HFKXEXRXEJNPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c1-2-9-3-4-10(14-9)11(13)8-5-6-12-7-8/h3-7,12H,2H2,1H3.
What are the key properties of (5-ethylthiophen-2-yl)-(1H-pyrrol-3-yl)methanone?
(5-ethylthiophen-2-yl)-(1H-pyrrol-3-yl)methanone has a molecular weight of 205.28 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylthiophen-2-yl)-(1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 63747836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).