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

C10H9NO2 — CID 96630357

IUPAC4-(furan-2-ylmethyl)-1H-pyrrole-3-carbaldehyde
SMILESO=Cc1c[nH]cc1Cc1ccco1
InChIInChI=1S/C10H9NO2/c12-7-9-6-11-5-8(9)4-10-2-1-3-13-10/h1-3,5-7,11H,4H2
InChIKeySUXVBIJKCFZGTL-UHFFFAOYSA-N
MW175.19 g/mol
LogP2.01
Rot. Bonds3

About 4-(furan-2-ylmethyl)-1H-pyrrole-3-carbaldehyde

4-(furan-2-ylmethyl)-1H-pyrrole-3-carbaldehyde (PubChem CID 96630357) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 4-(furan-2-ylmethyl)-1H-pyrrole-3-carbaldehyde.

Molecular Properties

Compound Name4-(furan-2-ylmethyl)-1H-pyrrole-3-carbaldehyde
PubChem CID96630357
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name4-(furan-2-ylmethyl)-1H-pyrrole-3-carbaldehyde
SMILESO=Cc1c[nH]cc1Cc1ccco1
InChIInChI=1S/C10H9NO2/c12-7-9-6-11-5-8(9)4-10-2-1-3-13-10/h1-3,5-7,11H,4H2
InChIKeySUXVBIJKCFZGTL-UHFFFAOYSA-N
XLogP2.01
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(furan-2-ylmethylsulfanyl)benzaldehyde
CID 63803722
2-(furan-2-ylmethyl)-1H-pyrrole
CID 11094769
2-[[3,5-bis[(2-formylphenyl)methyl]phenyl]methyl]benzaldehyde
CID 11995210
2-(furan-2-ylmethyl)prop-2-enal
CID 117266840
1-cyclopropyl-2-(furan-2-yl)ethanone
CID 83172331
3-(furan-2-ylmethyl)pentane-2,4-dione
CID 101387929
4-(furan-2-yl)-2-phenylbut-2-enal
CID 174960857
acetaldehyde;2-(chloromethyl)furan
CID 174376101
4-(furan-2-ylmethyl)phenol
CID 11367276
3-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 140674320
1-(furan-2-yl)-3-(methylamino)propan-2-one
CID 83635399
2-(2-methylpropyl)furan;propanoic acid
CID 158583493

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethyl)-1H-pyrrole-3-carbaldehyde?
The IUPAC name of 4-(furan-2-ylmethyl)-1H-pyrrole-3-carbaldehyde (CID 96630357) is 4-(furan-2-ylmethyl)-1H-pyrrole-3-carbaldehyde.
What is the SMILES notation for 4-(furan-2-ylmethyl)-1H-pyrrole-3-carbaldehyde?
The canonical SMILES for 4-(furan-2-ylmethyl)-1H-pyrrole-3-carbaldehyde is O=Cc1c[nH]cc1Cc1ccco1.
What is the InChIKey of 4-(furan-2-ylmethyl)-1H-pyrrole-3-carbaldehyde?
The InChIKey is SUXVBIJKCFZGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c12-7-9-6-11-5-8(9)4-10-2-1-3-13-10/h1-3,5-7,11H,4H2.
What are the key properties of 4-(furan-2-ylmethyl)-1H-pyrrole-3-carbaldehyde?
4-(furan-2-ylmethyl)-1H-pyrrole-3-carbaldehyde has a molecular weight of 175.19 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethyl)-1H-pyrrole-3-carbaldehyde is sourced from PubChem (CID 96630357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).