3-[5-(1-hydroxy-2H-isoindol-5-yl)furan-2-yl]propanal

C15H13NO3 — CID 91190517

IUPAC3-[5-(1-hydroxy-2H-isoindol-5-yl)furan-2-yl]propanal
SMILESO=CCCc1ccc(-c2ccc3c(O)[nH]cc3c2)o1
InChIInChI=1S/C15H13NO3/c17-7-1-2-12-4-6-14(19-12)10-3-5-13-11(8-10)9-16-15(13)18/h3-9,16,18H,1-2H2
InChIKeyDNVDGPJIKJSGSU-UHFFFAOYSA-N
MW255.27 g/mol
LogP3.27
Rot. Bonds4

About 3-[5-(1-hydroxy-2H-isoindol-5-yl)furan-2-yl]propanal

3-[5-(1-hydroxy-2H-isoindol-5-yl)furan-2-yl]propanal (PubChem CID 91190517) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 3-[5-(1-hydroxy-2H-isoindol-5-yl)furan-2-yl]propanal.

Molecular Properties

Compound Name3-[5-(1-hydroxy-2H-isoindol-5-yl)furan-2-yl]propanal
PubChem CID91190517
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name3-[5-(1-hydroxy-2H-isoindol-5-yl)furan-2-yl]propanal
SMILESO=CCCc1ccc(-c2ccc3c(O)[nH]cc3c2)o1
InChIInChI=1S/C15H13NO3/c17-7-1-2-12-4-6-14(19-12)10-3-5-13-11(8-10)9-16-15(13)18/h3-9,16,18H,1-2H2
InChIKeyDNVDGPJIKJSGSU-UHFFFAOYSA-N
XLogP3.27
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-hydroxy-2H-isoindol-5-yl)furan-2-yl]propanal?
The IUPAC name of 3-[5-(1-hydroxy-2H-isoindol-5-yl)furan-2-yl]propanal (CID 91190517) is 3-[5-(1-hydroxy-2H-isoindol-5-yl)furan-2-yl]propanal.
What is the SMILES notation for 3-[5-(1-hydroxy-2H-isoindol-5-yl)furan-2-yl]propanal?
The canonical SMILES for 3-[5-(1-hydroxy-2H-isoindol-5-yl)furan-2-yl]propanal is O=CCCc1ccc(-c2ccc3c(O)[nH]cc3c2)o1.
What is the InChIKey of 3-[5-(1-hydroxy-2H-isoindol-5-yl)furan-2-yl]propanal?
The InChIKey is DNVDGPJIKJSGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c17-7-1-2-12-4-6-14(19-12)10-3-5-13-11(8-10)9-16-15(13)18/h3-9,16,18H,1-2H2.
What are the key properties of 3-[5-(1-hydroxy-2H-isoindol-5-yl)furan-2-yl]propanal?
3-[5-(1-hydroxy-2H-isoindol-5-yl)furan-2-yl]propanal has a molecular weight of 255.27 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-hydroxy-2H-isoindol-5-yl)furan-2-yl]propanal is sourced from PubChem (CID 91190517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).