3H-furan-2-one;pyrrolidine

C8H13NO2 — CID 158072997

IUPAC3H-furan-2-one;pyrrolidine
SMILESC1CCNC1.O=C1CC=CO1
InChIInChI=1S/C4H9N.C4H4O2/c1-2-4-5-3-1;5-4-2-1-3-6-4/h5H,1-4H2;1,3H,2H2
InChIKeyFMANIBQUHIDYFP-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.82
Rot. Bonds

About 3H-furan-2-one;pyrrolidine

3H-furan-2-one;pyrrolidine (PubChem CID 158072997) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 3H-furan-2-one;pyrrolidine.

Molecular Properties

Compound Name3H-furan-2-one;pyrrolidine
PubChem CID158072997
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name3H-furan-2-one;pyrrolidine
SMILESC1CCNC1.O=C1CC=CO1
InChIInChI=1S/C4H9N.C4H4O2/c1-2-4-5-3-1;5-4-2-1-3-6-4/h5H,1-4H2;1,3H,2H2
InChIKeyFMANIBQUHIDYFP-UHFFFAOYSA-N
XLogP0.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3H-furan-2-one;pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3H-furan-2-one;pyrrolidine?
The IUPAC name of 3H-furan-2-one;pyrrolidine (CID 158072997) is 3H-furan-2-one;pyrrolidine.
What is the SMILES notation for 3H-furan-2-one;pyrrolidine?
The canonical SMILES for 3H-furan-2-one;pyrrolidine is C1CCNC1.O=C1CC=CO1.
What is the InChIKey of 3H-furan-2-one;pyrrolidine?
The InChIKey is FMANIBQUHIDYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N.C4H4O2/c1-2-4-5-3-1;5-4-2-1-3-6-4/h5H,1-4H2;1,3H,2H2.
What are the key properties of 3H-furan-2-one;pyrrolidine?
3H-furan-2-one;pyrrolidine has a molecular weight of 155.20 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-furan-2-one;pyrrolidine is sourced from PubChem (CID 158072997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).