[1-(thiophen-3-ylmethyl)pyrrol-3-yl]methanol

C10H11NOS — CID 66398069

IUPAC[1-(thiophen-3-ylmethyl)pyrrol-3-yl]methanol
SMILESOCc1ccn(Cc2ccsc2)c1
InChIInChI=1S/C10H11NOS/c12-7-9-1-3-11(5-9)6-10-2-4-13-8-10/h1-5,8,12H,6-7H2
InChIKeyNLHHCKXZEDFWKQ-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.09
Rot. Bonds3

About [1-(thiophen-3-ylmethyl)pyrrol-3-yl]methanol

[1-(thiophen-3-ylmethyl)pyrrol-3-yl]methanol (PubChem CID 66398069) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is [1-(thiophen-3-ylmethyl)pyrrol-3-yl]methanol.

Molecular Properties

Compound Name[1-(thiophen-3-ylmethyl)pyrrol-3-yl]methanol
PubChem CID66398069
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name[1-(thiophen-3-ylmethyl)pyrrol-3-yl]methanol
SMILESOCc1ccn(Cc2ccsc2)c1
InChIInChI=1S/C10H11NOS/c12-7-9-1-3-11(5-9)6-10-2-4-13-8-10/h1-5,8,12H,6-7H2
InChIKeyNLHHCKXZEDFWKQ-UHFFFAOYSA-N
XLogP2.09
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(thiophen-3-ylmethyl)pyrrol-3-yl]methanol?
The IUPAC name of [1-(thiophen-3-ylmethyl)pyrrol-3-yl]methanol (CID 66398069) is [1-(thiophen-3-ylmethyl)pyrrol-3-yl]methanol.
What is the SMILES notation for [1-(thiophen-3-ylmethyl)pyrrol-3-yl]methanol?
The canonical SMILES for [1-(thiophen-3-ylmethyl)pyrrol-3-yl]methanol is OCc1ccn(Cc2ccsc2)c1.
What is the InChIKey of [1-(thiophen-3-ylmethyl)pyrrol-3-yl]methanol?
The InChIKey is NLHHCKXZEDFWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c12-7-9-1-3-11(5-9)6-10-2-4-13-8-10/h1-5,8,12H,6-7H2.
What are the key properties of [1-(thiophen-3-ylmethyl)pyrrol-3-yl]methanol?
[1-(thiophen-3-ylmethyl)pyrrol-3-yl]methanol has a molecular weight of 193.27 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(thiophen-3-ylmethyl)pyrrol-3-yl]methanol is sourced from PubChem (CID 66398069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).