3-propyl-2-thiophen-2-yl-1H-pyrrole

C11H13NS — CID 102596824

IUPAC3-propyl-2-thiophen-2-yl-1H-pyrrole
SMILESCCCc1cc[nH]c1-c1cccs1
InChIInChI=1S/C11H13NS/c1-2-4-9-6-7-12-11(9)10-5-3-8-13-10/h3,5-8,12H,2,4H2,1H3
InChIKeyBSHVYQBLDGSLEX-UHFFFAOYSA-N
MW191.30 g/mol
LogP3.70
Rot. Bonds3

About 3-propyl-2-thiophen-2-yl-1H-pyrrole

3-propyl-2-thiophen-2-yl-1H-pyrrole (PubChem CID 102596824) has the molecular formula C11H13NS and a molecular weight of 191.30 g/mol. Its IUPAC name is 3-propyl-2-thiophen-2-yl-1H-pyrrole.

Molecular Properties

Compound Name3-propyl-2-thiophen-2-yl-1H-pyrrole
PubChem CID102596824
Molecular FormulaC11H13NS
Molecular Weight191.30 g/mol
Exact Mass191.08
IUPAC Name3-propyl-2-thiophen-2-yl-1H-pyrrole
SMILESCCCc1cc[nH]c1-c1cccs1
InChIInChI=1S/C11H13NS/c1-2-4-9-6-7-12-11(9)10-5-3-8-13-10/h3,5-8,12H,2,4H2,1H3
InChIKeyBSHVYQBLDGSLEX-UHFFFAOYSA-N
XLogP3.70
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-propyl-2-thiophen-2-ylthiophene
CID 69104145
3-pent-1-ynyl-2-thiophen-2-yl-1H-pyrrole
CID 123460862
2-fluoro-3-propyl-1H-pyrrole
CID 163361919
2,3-dipropyl-1H-pyrrole;1H-pyrrole;ruthenium
CID 174567277
but-1-yne;2-thiophen-2-ylthiophene
CID 174755152
N-ethyl-4-methyl-5-thiophen-2-yl-1H-pyrazol-3-amine
CID 63047438
2,3-dithiophen-2-yl-1H-pyrrole;9H-fluorene
CID 175152597
2-(2-methyl-4-propylphenyl)thiophene
CID 163647505
3-decyl-5-(4-decyl-5-thiophen-2-ylthiophen-2-yl)-2-thiophen-2-ylthiophene
CID 15363325
2-phenyl-N-(5-propyl-3-thiophen-2-yl-1H-pyrazol-4-yl)acetamide
CID 42687233
5-(2-ethoxyethyl)-3-thiophen-2-yl-1H-1,2,4-triazole
CID 62735263
(2,5-dithiophen-2-yl-1H-pyrrol-3-yl)methanamine
CID 54273607

Frequently Asked Questions

What is the IUPAC name of 3-propyl-2-thiophen-2-yl-1H-pyrrole?
The IUPAC name of 3-propyl-2-thiophen-2-yl-1H-pyrrole (CID 102596824) is 3-propyl-2-thiophen-2-yl-1H-pyrrole.
What is the SMILES notation for 3-propyl-2-thiophen-2-yl-1H-pyrrole?
The canonical SMILES for 3-propyl-2-thiophen-2-yl-1H-pyrrole is CCCc1cc[nH]c1-c1cccs1.
What is the InChIKey of 3-propyl-2-thiophen-2-yl-1H-pyrrole?
The InChIKey is BSHVYQBLDGSLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NS/c1-2-4-9-6-7-12-11(9)10-5-3-8-13-10/h3,5-8,12H,2,4H2,1H3.
What are the key properties of 3-propyl-2-thiophen-2-yl-1H-pyrrole?
3-propyl-2-thiophen-2-yl-1H-pyrrole has a molecular weight of 191.30 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-2-thiophen-2-yl-1H-pyrrole is sourced from PubChem (CID 102596824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).