5-[3-(2-oxopyrrolidin-1-yl)phenyl]furan-2-carbaldehyde

C15H13NO3 — CID 169332676

IUPAC5-[3-(2-oxopyrrolidin-1-yl)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cccc(N3CCCC3=O)c2)o1
InChIInChI=1S/C15H13NO3/c17-10-13-6-7-14(19-13)11-3-1-4-12(9-11)16-8-2-5-15(16)18/h1,3-4,6-7,9-10H,2,5,8H2
InChIKeySTBBFVJQYQDYFS-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.89
Rot. Bonds3

About 5-[3-(2-oxopyrrolidin-1-yl)phenyl]furan-2-carbaldehyde

5-[3-(2-oxopyrrolidin-1-yl)phenyl]furan-2-carbaldehyde (PubChem CID 169332676) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 5-[3-(2-oxopyrrolidin-1-yl)phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[3-(2-oxopyrrolidin-1-yl)phenyl]furan-2-carbaldehyde
PubChem CID169332676
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name5-[3-(2-oxopyrrolidin-1-yl)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cccc(N3CCCC3=O)c2)o1
InChIInChI=1S/C15H13NO3/c17-10-13-6-7-14(19-13)11-3-1-4-12(9-11)16-8-2-5-15(16)18/h1,3-4,6-7,9-10H,2,5,8H2
InChIKeySTBBFVJQYQDYFS-UHFFFAOYSA-N
XLogP2.89
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.89
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

5-[3-(2,5-dioxopyrrolidin-1-yl)phenyl]furan-2-carbaldehyde
CID 169333937
4-[4-[3-(2-oxopyrrolidin-1-yl)phenyl]phenyl]piperazine-1-carbaldehyde
CID 167101884
1-(3-hydroxyphenyl)pyrrolidin-2-one
CID 736761
1-[3-[3-(2-oxopyrrolidin-1-yl)phenoxy]phenyl]pyrrolidin-2-one
CID 142760205
1-[3-(aminomethyl)phenyl]pyrrolidin-2-one;hydrochloride
CID 68967881
1-[3-(ethylaminomethyl)phenyl]pyrrolidin-2-one
CID 63272633
3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
3-[4-(5-formylfuran-2-yl)phenyl]benzoic acid
CID 169334403
1-[3-[(chloroamino)methyl]phenyl]pyrrolidin-2-one
CID 88577305
1-[3-(methoxymethyl)phenyl]pyrrolidin-2-one
CID 58826741
5-(3-cyclopropyloxyphenyl)furan-2-carbaldehyde
CID 106886623
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-oxopyrrolidin-1-yl)phenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[3-(2-oxopyrrolidin-1-yl)phenyl]furan-2-carbaldehyde (CID 169332676) is 5-[3-(2-oxopyrrolidin-1-yl)phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[3-(2-oxopyrrolidin-1-yl)phenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[3-(2-oxopyrrolidin-1-yl)phenyl]furan-2-carbaldehyde is O=Cc1ccc(-c2cccc(N3CCCC3=O)c2)o1.
What is the InChIKey of 5-[3-(2-oxopyrrolidin-1-yl)phenyl]furan-2-carbaldehyde?
The InChIKey is STBBFVJQYQDYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c17-10-13-6-7-14(19-13)11-3-1-4-12(9-11)16-8-2-5-15(16)18/h1,3-4,6-7,9-10H,2,5,8H2.
What are the key properties of 5-[3-(2-oxopyrrolidin-1-yl)phenyl]furan-2-carbaldehyde?
5-[3-(2-oxopyrrolidin-1-yl)phenyl]furan-2-carbaldehyde has a molecular weight of 255.27 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-oxopyrrolidin-1-yl)phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 169332676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).