1-(furan-2-ylmethyl)pyrrole-3-carbaldehyde

C10H9NO2 — CID 20560360

IUPAC1-(furan-2-ylmethyl)pyrrole-3-carbaldehyde
SMILESO=Cc1ccn(Cc2ccco2)c1
InChIInChI=1S/C10H9NO2/c12-8-9-3-4-11(6-9)7-10-2-1-5-13-10/h1-6,8H,7H2
InChIKeyQHMAVTMJOHFHAT-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.94
Rot. Bonds3

About 1-(furan-2-ylmethyl)pyrrole-3-carbaldehyde

1-(furan-2-ylmethyl)pyrrole-3-carbaldehyde (PubChem CID 20560360) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)pyrrole-3-carbaldehyde.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)pyrrole-3-carbaldehyde
PubChem CID20560360
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name1-(furan-2-ylmethyl)pyrrole-3-carbaldehyde
SMILESO=Cc1ccn(Cc2ccco2)c1
InChIInChI=1S/C10H9NO2/c12-8-9-3-4-11(6-9)7-10-2-1-5-13-10/h1-6,8H,7H2
InChIKeyQHMAVTMJOHFHAT-UHFFFAOYSA-N
XLogP1.94
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.94
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

3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
CID 117138682
2-(3-formylpyrrol-1-yl)acetic acid
CID 19763688
1-[(3,4-dimethylphenyl)methyl]pyrrole-3-carbaldehyde
CID 66409232
acetaldehyde;2-(chloromethyl)furan
CID 174376101
1-[(5-oxopyrrolidin-2-yl)methyl]pyrrole-3-carbaldehyde
CID 130517259
5-bromo-1-(furan-2-ylmethyl)pyridin-2-one
CID 60773320
3-[2-(furan-2-yl)ethenyl]-1-(furan-2-ylmethyl)pyrazole
CID 91054617
1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrole-3-carbaldehyde
CID 66407696
5-(aminomethyl)-1-(furan-2-ylmethyl)pyrimidin-4-one
CID 115114560
2,4,6,8-tetrakis(furan-2-ylmethyl)-2,4,6,8-tetrazatricyclo[3.3.1.13,7]decane
CID 175739385
4-(furan-2-yl)butanal
CID 14455558
(Z)-5-(furan-2-yl)pent-3-enal
CID 117268161

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)pyrrole-3-carbaldehyde?
The IUPAC name of 1-(furan-2-ylmethyl)pyrrole-3-carbaldehyde (CID 20560360) is 1-(furan-2-ylmethyl)pyrrole-3-carbaldehyde.
What is the SMILES notation for 1-(furan-2-ylmethyl)pyrrole-3-carbaldehyde?
The canonical SMILES for 1-(furan-2-ylmethyl)pyrrole-3-carbaldehyde is O=Cc1ccn(Cc2ccco2)c1.
What is the InChIKey of 1-(furan-2-ylmethyl)pyrrole-3-carbaldehyde?
The InChIKey is QHMAVTMJOHFHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c12-8-9-3-4-11(6-9)7-10-2-1-5-13-10/h1-6,8H,7H2.
What are the key properties of 1-(furan-2-ylmethyl)pyrrole-3-carbaldehyde?
1-(furan-2-ylmethyl)pyrrole-3-carbaldehyde has a molecular weight of 175.19 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)pyrrole-3-carbaldehyde is sourced from PubChem (CID 20560360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).