2,3-dihydrofuran-5-yl-(2,4-dimethylazetidin-1-yl)methanone

C10H15NO2 — CID 126999518

IUPAC2,3-dihydrofuran-5-yl-(2,4-dimethylazetidin-1-yl)methanone
SMILESCC1CC(C)N1C(=O)C1=CCCO1
InChIInChI=1S/C10H15NO2/c1-7-6-8(2)11(7)10(12)9-4-3-5-13-9/h4,7-8H,3,5-6H2,1-2H3
InChIKeyALDUZDOWSUDFIV-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.30
Rot. Bonds1

About 2,3-dihydrofuran-5-yl-(2,4-dimethylazetidin-1-yl)methanone

2,3-dihydrofuran-5-yl-(2,4-dimethylazetidin-1-yl)methanone (PubChem CID 126999518) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 2,3-dihydrofuran-5-yl-(2,4-dimethylazetidin-1-yl)methanone.

Molecular Properties

Compound Name2,3-dihydrofuran-5-yl-(2,4-dimethylazetidin-1-yl)methanone
PubChem CID126999518
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name2,3-dihydrofuran-5-yl-(2,4-dimethylazetidin-1-yl)methanone
SMILESCC1CC(C)N1C(=O)C1=CCCO1
InChIInChI=1S/C10H15NO2/c1-7-6-8(2)11(7)10(12)9-4-3-5-13-9/h4,7-8H,3,5-6H2,1-2H3
InChIKeyALDUZDOWSUDFIV-UHFFFAOYSA-N
XLogP1.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrofuran-5-yl-(2,4-dimethylazetidin-1-yl)methanone?
The IUPAC name of 2,3-dihydrofuran-5-yl-(2,4-dimethylazetidin-1-yl)methanone (CID 126999518) is 2,3-dihydrofuran-5-yl-(2,4-dimethylazetidin-1-yl)methanone.
What is the SMILES notation for 2,3-dihydrofuran-5-yl-(2,4-dimethylazetidin-1-yl)methanone?
The canonical SMILES for 2,3-dihydrofuran-5-yl-(2,4-dimethylazetidin-1-yl)methanone is CC1CC(C)N1C(=O)C1=CCCO1.
What is the InChIKey of 2,3-dihydrofuran-5-yl-(2,4-dimethylazetidin-1-yl)methanone?
The InChIKey is ALDUZDOWSUDFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-7-6-8(2)11(7)10(12)9-4-3-5-13-9/h4,7-8H,3,5-6H2,1-2H3.
What are the key properties of 2,3-dihydrofuran-5-yl-(2,4-dimethylazetidin-1-yl)methanone?
2,3-dihydrofuran-5-yl-(2,4-dimethylazetidin-1-yl)methanone has a molecular weight of 181.23 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrofuran-5-yl-(2,4-dimethylazetidin-1-yl)methanone is sourced from PubChem (CID 126999518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).