2,3-dihydrofuran-5-yl(piperazin-1-yl)methanone

C9H14N2O2 — CID 70343538

IUPAC2,3-dihydrofuran-5-yl(piperazin-1-yl)methanone
SMILESO=C(C1=CCCO1)N1CCNCC1
InChIInChI=1S/C9H14N2O2/c12-9(8-2-1-7-13-8)11-5-3-10-4-6-11/h2,10H,1,3-7H2
InChIKeySZVWPBDOPJUVFN-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.28
Rot. Bonds1

About 2,3-dihydrofuran-5-yl(piperazin-1-yl)methanone

2,3-dihydrofuran-5-yl(piperazin-1-yl)methanone (PubChem CID 70343538) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2,3-dihydrofuran-5-yl(piperazin-1-yl)methanone.

Molecular Properties

Compound Name2,3-dihydrofuran-5-yl(piperazin-1-yl)methanone
PubChem CID70343538
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2,3-dihydrofuran-5-yl(piperazin-1-yl)methanone
SMILESO=C(C1=CCCO1)N1CCNCC1
InChIInChI=1S/C9H14N2O2/c12-9(8-2-1-7-13-8)11-5-3-10-4-6-11/h2,10H,1,3-7H2
InChIKeySZVWPBDOPJUVFN-UHFFFAOYSA-N
XLogP-0.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrofuran-5-yl(piperazin-1-yl)methanone?
The IUPAC name of 2,3-dihydrofuran-5-yl(piperazin-1-yl)methanone (CID 70343538) is 2,3-dihydrofuran-5-yl(piperazin-1-yl)methanone.
What is the SMILES notation for 2,3-dihydrofuran-5-yl(piperazin-1-yl)methanone?
The canonical SMILES for 2,3-dihydrofuran-5-yl(piperazin-1-yl)methanone is O=C(C1=CCCO1)N1CCNCC1.
What is the InChIKey of 2,3-dihydrofuran-5-yl(piperazin-1-yl)methanone?
The InChIKey is SZVWPBDOPJUVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c12-9(8-2-1-7-13-8)11-5-3-10-4-6-11/h2,10H,1,3-7H2.
What are the key properties of 2,3-dihydrofuran-5-yl(piperazin-1-yl)methanone?
2,3-dihydrofuran-5-yl(piperazin-1-yl)methanone has a molecular weight of 182.22 g/mol, XLogP of -0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrofuran-5-yl(piperazin-1-yl)methanone is sourced from PubChem (CID 70343538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).