1-(furan-3-yl)piperazin-2-one

C8H10N2O2 — CID 131062759

IUPAC1-(furan-3-yl)piperazin-2-one
SMILESO=C1CNCCN1c1ccoc1
InChIInChI=1S/C8H10N2O2/c11-8-5-9-2-3-10(8)7-1-4-12-6-7/h1,4,6,9H,2-3,5H2
InChIKeySZGVBFYLULMDSM-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.22
Rot. Bonds1

About 1-(furan-3-yl)piperazin-2-one

1-(furan-3-yl)piperazin-2-one (PubChem CID 131062759) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 1-(furan-3-yl)piperazin-2-one.

Molecular Properties

Compound Name1-(furan-3-yl)piperazin-2-one
PubChem CID131062759
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name1-(furan-3-yl)piperazin-2-one
SMILESO=C1CNCCN1c1ccoc1
InChIInChI=1S/C8H10N2O2/c11-8-5-9-2-3-10(8)7-1-4-12-6-7/h1,4,6,9H,2-3,5H2
InChIKeySZGVBFYLULMDSM-UHFFFAOYSA-N
XLogP0.22
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Acetamidofuran
CID 521882
4-(Furan-3-yl)morpholine
CID 12009355
3-Furylaminobutyric acid
CID 68798095
3-Furylurea
CID 101076529
1-(Furan-3-yl)-5-(trifluoromethyl)-1,3-diazinane-2,4-dione
CID 23326919
5-fluoro-3-(furan-3-yl)-1H-pyrimidine-2,4-dione
CID 66697579
4-aminomethyl-1-furan-3-yl-1H-pyridin-2-one.trifluoroacetic acid
CID 68696561
5-Fluoro-1-(furan-3-yl)pyrimidine-2,4-dione
CID 69626237
N-(2-fluoroethyl)furan-3-amine
CID 140143628
N-(2,2-difluoroethyl)furan-3-amine
CID 151412690
N-(furan-3-yl)pent-4-enamide
CID 11105709
N,N-diethylfuran-3-amine
CID 12009356

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)piperazin-2-one?
The IUPAC name of 1-(furan-3-yl)piperazin-2-one (CID 131062759) is 1-(furan-3-yl)piperazin-2-one.
What is the SMILES notation for 1-(furan-3-yl)piperazin-2-one?
The canonical SMILES for 1-(furan-3-yl)piperazin-2-one is O=C1CNCCN1c1ccoc1.
What is the InChIKey of 1-(furan-3-yl)piperazin-2-one?
The InChIKey is SZGVBFYLULMDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c11-8-5-9-2-3-10(8)7-1-4-12-6-7/h1,4,6,9H,2-3,5H2.
What are the key properties of 1-(furan-3-yl)piperazin-2-one?
1-(furan-3-yl)piperazin-2-one has a molecular weight of 166.18 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)piperazin-2-one is sourced from PubChem (CID 131062759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).