1-ethenyl-5-thiophen-2-ylpyrrole-2-carbaldehyde

C11H9NOS — CID 11564680

IUPAC1-ethenyl-5-thiophen-2-ylpyrrole-2-carbaldehyde
SMILESC=Cn1c(C=O)ccc1-c1cccs1
InChIInChI=1S/C11H9NOS/c1-2-12-9(8-13)5-6-10(12)11-4-3-7-14-11/h2-8H,1H2
InChIKeyPNMGGNDHOJQOHA-UHFFFAOYSA-N
MW203.27 g/mol
LogP3.13
Rot. Bonds3

About 1-ethenyl-5-thiophen-2-ylpyrrole-2-carbaldehyde

1-ethenyl-5-thiophen-2-ylpyrrole-2-carbaldehyde (PubChem CID 11564680) has the molecular formula C11H9NOS and a molecular weight of 203.27 g/mol. Its IUPAC name is 1-ethenyl-5-thiophen-2-ylpyrrole-2-carbaldehyde.

Molecular Properties

Compound Name1-ethenyl-5-thiophen-2-ylpyrrole-2-carbaldehyde
PubChem CID11564680
Molecular FormulaC11H9NOS
Molecular Weight203.27 g/mol
Exact Mass203.04
IUPAC Name1-ethenyl-5-thiophen-2-ylpyrrole-2-carbaldehyde
SMILESC=Cn1c(C=O)ccc1-c1cccs1
InChIInChI=1S/C11H9NOS/c1-2-12-9(8-13)5-6-10(12)11-4-3-7-14-11/h2-8H,1H2
InChIKeyPNMGGNDHOJQOHA-UHFFFAOYSA-N
XLogP3.13
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 53.13
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

(E)-1-Pyridin-2-yl-3-thiophen-2-yl-propenone
CID 6244095
5-(thiophen-2-yl)-1H-pyrrole-2-carbaldehyde
CID 1201026
6-(Thiophen-2-yl)pyridine-2-carbaldehyde
CID 10583807
6-(3-Thienyl)pyridine-2-carboxaldehyde
CID 16217889
1-[(thiophen-2-yl)methyl]-1H-pyrrole-2-carbaldehyde
CID 11137952
(1,5-Dimethylpyrrol-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 56810379
(1,5-Dimethylpyrrol-2-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 56812369
5-(Pyridin-2-yl)thiophene-2-carbaldehyde
CID 605127
1-(2-Pyridinyl)-3-(2-thienyl)-2-propen-1-one
CID 4997934
(1-Methyl-1H-pyrrol-2-yl)(thiophen-2-yl)methanone
CID 22481064
1-Pyridin-2-yl-4-thiophen-2-ylbutane-1,4-dione
CID 56840608
N,4-Dimethyl-N-(prop-2-EN-1-YL)-4H-thieno[3,2-B]pyrrole-5-carboxamide
CID 53015520

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-5-thiophen-2-ylpyrrole-2-carbaldehyde?
The IUPAC name of 1-ethenyl-5-thiophen-2-ylpyrrole-2-carbaldehyde (CID 11564680) is 1-ethenyl-5-thiophen-2-ylpyrrole-2-carbaldehyde.
What is the SMILES notation for 1-ethenyl-5-thiophen-2-ylpyrrole-2-carbaldehyde?
The canonical SMILES for 1-ethenyl-5-thiophen-2-ylpyrrole-2-carbaldehyde is C=Cn1c(C=O)ccc1-c1cccs1.
What is the InChIKey of 1-ethenyl-5-thiophen-2-ylpyrrole-2-carbaldehyde?
The InChIKey is PNMGGNDHOJQOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NOS/c1-2-12-9(8-13)5-6-10(12)11-4-3-7-14-11/h2-8H,1H2.
What are the key properties of 1-ethenyl-5-thiophen-2-ylpyrrole-2-carbaldehyde?
1-ethenyl-5-thiophen-2-ylpyrrole-2-carbaldehyde has a molecular weight of 203.27 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-5-thiophen-2-ylpyrrole-2-carbaldehyde is sourced from PubChem (CID 11564680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).