1-[2-(furan-2-yl)-2-hydroxyethyl]pyrrole-2-carbaldehyde

C11H11NO3 — CID 162349730

IUPAC1-[2-(furan-2-yl)-2-hydroxyethyl]pyrrole-2-carbaldehyde
SMILESO=Cc1cccn1CC(O)c1ccco1
InChIInChI=1S/C11H11NO3/c13-8-9-3-1-5-12(9)7-10(14)11-4-2-6-15-11/h1-6,8,10,14H,7H2
InChIKeyCHIQQGCIMYSPCA-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.63
Rot. Bonds4

About 1-[2-(furan-2-yl)-2-hydroxyethyl]pyrrole-2-carbaldehyde

1-[2-(furan-2-yl)-2-hydroxyethyl]pyrrole-2-carbaldehyde (PubChem CID 162349730) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)-2-hydroxyethyl]pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-2-hydroxyethyl]pyrrole-2-carbaldehyde
PubChem CID162349730
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name1-[2-(furan-2-yl)-2-hydroxyethyl]pyrrole-2-carbaldehyde
SMILESO=Cc1cccn1CC(O)c1ccco1
InChIInChI=1S/C11H11NO3/c13-8-9-3-1-5-12(9)7-10(14)11-4-2-6-15-11/h1-6,8,10,14H,7H2
InChIKeyCHIQQGCIMYSPCA-UHFFFAOYSA-N
XLogP1.63
TPSA55.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Acetyl-1-furfurylpyrrole
CID 20560368
(5-Methoxycarbonylfuran-2-yl)methyl 1-methylpyrrole-2-carboxylate
CID 5217234
1-((Furan-2-yl)methyl)-1H-pyrrole-2-carbaldehyde
CID 529880
1-[2-(Furan-2-yl)ethyl]-1H-pyrrole
CID 61470653
(S)-1-(2-furyl)-2-{4-[(2-pyridyl)methyl]-1-piperazinyl}-1-ethanol
CID 97039029
N-furfuryl-2-methylpyrrole
CID 54074970
1-(2-Furoylmethyl)2-picolinium bromide
CID 87589648
4-bromo-N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-1-methylpyrrole-2-carboxamide
CID 97227698
(3-Fluoro-2-pyridinyl)-(furan-2-yl)methanol
CID 81603321
1-(2-furanylmethyl)-2-trifluoroacetyl-1H-pyrrole
CID 14985836
Furan-2-yl(pyridin-2-yl)methanol
CID 556645
Methanone, 2-furanyl(1-methyl-1H-pyrrol-2-yl)-
CID 3715221

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-2-hydroxyethyl]pyrrole-2-carbaldehyde?
The IUPAC name of 1-[2-(furan-2-yl)-2-hydroxyethyl]pyrrole-2-carbaldehyde (CID 162349730) is 1-[2-(furan-2-yl)-2-hydroxyethyl]pyrrole-2-carbaldehyde.
What is the SMILES notation for 1-[2-(furan-2-yl)-2-hydroxyethyl]pyrrole-2-carbaldehyde?
The canonical SMILES for 1-[2-(furan-2-yl)-2-hydroxyethyl]pyrrole-2-carbaldehyde is O=Cc1cccn1CC(O)c1ccco1.
What is the InChIKey of 1-[2-(furan-2-yl)-2-hydroxyethyl]pyrrole-2-carbaldehyde?
The InChIKey is CHIQQGCIMYSPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c13-8-9-3-1-5-12(9)7-10(14)11-4-2-6-15-11/h1-6,8,10,14H,7H2.
What are the key properties of 1-[2-(furan-2-yl)-2-hydroxyethyl]pyrrole-2-carbaldehyde?
1-[2-(furan-2-yl)-2-hydroxyethyl]pyrrole-2-carbaldehyde has a molecular weight of 205.21 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)-2-hydroxyethyl]pyrrole-2-carbaldehyde is sourced from PubChem (CID 162349730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).