(3S)-1-[(5-cyanofuran-3-yl)methyl]-2-oxopyrrolidine-3-carboxamide

C11H11N3O3 — CID 18392370

IUPAC(3S)-1-[(5-cyanofuran-3-yl)methyl]-2-oxopyrrolidine-3-carboxamide
SMILESN#Cc1cc(CN2CC[C@@H](C(N)=O)C2=O)co1
InChIInChI=1S/C11H11N3O3/c12-4-8-3-7(6-17-8)5-14-2-1-9(10(13)15)11(14)16/h3,6,9H,1-2,5H2,(H2,13,15)/t9-/m0/s1
InChIKeyBSAGPEBOJTYJFU-VIFPVBQESA-N
MW233.23 g/mol
LogP-0.01
Rot. Bonds3

About (3S)-1-[(5-cyanofuran-3-yl)methyl]-2-oxopyrrolidine-3-carboxamide

(3S)-1-[(5-cyanofuran-3-yl)methyl]-2-oxopyrrolidine-3-carboxamide (PubChem CID 18392370) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is (3S)-1-[(5-cyanofuran-3-yl)methyl]-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(5-cyanofuran-3-yl)methyl]-2-oxopyrrolidine-3-carboxamide
PubChem CID18392370
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name(3S)-1-[(5-cyanofuran-3-yl)methyl]-2-oxopyrrolidine-3-carboxamide
SMILESN#Cc1cc(CN2CC[C@@H](C(N)=O)C2=O)co1
InChIInChI=1S/C11H11N3O3/c12-4-8-3-7(6-17-8)5-14-2-1-9(10(13)15)11(14)16/h3,6,9H,1-2,5H2,(H2,13,15)/t9-/m0/s1
InChIKeyBSAGPEBOJTYJFU-VIFPVBQESA-N
XLogP-0.01
TPSA100.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(5-cyanofuran-3-yl)methyl]-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-[(5-cyanofuran-3-yl)methyl]-2-oxopyrrolidine-3-carboxamide (CID 18392370) is (3S)-1-[(5-cyanofuran-3-yl)methyl]-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(5-cyanofuran-3-yl)methyl]-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(5-cyanofuran-3-yl)methyl]-2-oxopyrrolidine-3-carboxamide is N#Cc1cc(CN2CC[C@@H](C(N)=O)C2=O)co1.
What is the InChIKey of (3S)-1-[(5-cyanofuran-3-yl)methyl]-2-oxopyrrolidine-3-carboxamide?
The InChIKey is BSAGPEBOJTYJFU-VIFPVBQESA-N. The full InChI is InChI=1S/C11H11N3O3/c12-4-8-3-7(6-17-8)5-14-2-1-9(10(13)15)11(14)16/h3,6,9H,1-2,5H2,(H2,13,15)/t9-/m0/s1.
What are the key properties of (3S)-1-[(5-cyanofuran-3-yl)methyl]-2-oxopyrrolidine-3-carboxamide?
(3S)-1-[(5-cyanofuran-3-yl)methyl]-2-oxopyrrolidine-3-carboxamide has a molecular weight of 233.23 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(5-cyanofuran-3-yl)methyl]-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 18392370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).