1-(thiophen-2-ylmethyl)pyrrole-2-carbaldehyde

C10H9NOS — CID 11137952

IUPAC1-(thiophen-2-ylmethyl)pyrrole-2-carbaldehyde
SMILESO=Cc1cccn1Cc1cccs1
InChIInChI=1S/C10H9NOS/c12-8-9-3-1-5-11(9)7-10-4-2-6-13-10/h1-6,8H,7H2
InChIKeyDTVPJDHHPRORAV-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.41
Rot. Bonds3

About 1-(thiophen-2-ylmethyl)pyrrole-2-carbaldehyde

1-(thiophen-2-ylmethyl)pyrrole-2-carbaldehyde (PubChem CID 11137952) has the molecular formula C10H9NOS and a molecular weight of 191.26 g/mol. Its IUPAC name is 1-(thiophen-2-ylmethyl)pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name1-(thiophen-2-ylmethyl)pyrrole-2-carbaldehyde
PubChem CID11137952
Molecular FormulaC10H9NOS
Molecular Weight191.26 g/mol
Exact Mass191.04
IUPAC Name1-(thiophen-2-ylmethyl)pyrrole-2-carbaldehyde
SMILESO=Cc1cccn1Cc1cccs1
InChIInChI=1S/C10H9NOS/c12-8-9-3-1-5-11(9)7-10-4-2-6-13-10/h1-6,8H,7H2
InChIKeyDTVPJDHHPRORAV-UHFFFAOYSA-N
XLogP2.41
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-chloro-1-(thiophen-2-ylmethyl)pyrrole-2-carbaldehyde
CID 118416902
1-(thiophen-2-ylmethyl)indole-4-carbaldehyde
CID 18973351
2-oxo-1-(thiophen-2-ylmethyl)pyridine-3-carbonitrile
CID 102974949
1-[(2-ethylphenyl)methyl]pyrrole-2-carbaldehyde
CID 64693294
1-(thiophen-2-ylmethyl)pyrrole-2-carbothioamide
CID 114653630
[1-(thiophen-2-ylmethyl)imidazol-2-yl] formate
CID 88666996
2-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methylamino]ethanol
CID 111436535
1-(pyridin-2-ylmethyl)pyrrole-2-carbaldehyde
CID 3791494
1-(naphthalen-1-ylmethyl)pyrrole-2-carbaldehyde
CID 974670
2-[(2-formylpyrrol-1-yl)methyl]thiophene-3-carbonyl azide
CID 14910447
3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine-5-carbaldehyde
CID 117141200
1-(2,2,2-trifluoroethyl)pyrrole-2-carbaldehyde
CID 43476990

Frequently Asked Questions

What is the IUPAC name of 1-(thiophen-2-ylmethyl)pyrrole-2-carbaldehyde?
The IUPAC name of 1-(thiophen-2-ylmethyl)pyrrole-2-carbaldehyde (CID 11137952) is 1-(thiophen-2-ylmethyl)pyrrole-2-carbaldehyde.
What is the SMILES notation for 1-(thiophen-2-ylmethyl)pyrrole-2-carbaldehyde?
The canonical SMILES for 1-(thiophen-2-ylmethyl)pyrrole-2-carbaldehyde is O=Cc1cccn1Cc1cccs1.
What is the InChIKey of 1-(thiophen-2-ylmethyl)pyrrole-2-carbaldehyde?
The InChIKey is DTVPJDHHPRORAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS/c12-8-9-3-1-5-11(9)7-10-4-2-6-13-10/h1-6,8H,7H2.
What are the key properties of 1-(thiophen-2-ylmethyl)pyrrole-2-carbaldehyde?
1-(thiophen-2-ylmethyl)pyrrole-2-carbaldehyde has a molecular weight of 191.26 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophen-2-ylmethyl)pyrrole-2-carbaldehyde is sourced from PubChem (CID 11137952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).