2-(cyclopropylamino)-1-(2,3-dihydrofuran-5-yl)ethanone

C9H13NO2 — CID 102652418

IUPAC2-(cyclopropylamino)-1-(2,3-dihydrofuran-5-yl)ethanone
SMILESO=C(CNC1CC1)C1=CCCO1
InChIInChI=1S/C9H13NO2/c11-8(6-10-7-3-4-7)9-2-1-5-12-9/h2,7,10H,1,3-6H2
InChIKeyHZIYJJXYSVNJOL-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.61
Rot. Bonds4

About 2-(cyclopropylamino)-1-(2,3-dihydrofuran-5-yl)ethanone

2-(cyclopropylamino)-1-(2,3-dihydrofuran-5-yl)ethanone (PubChem CID 102652418) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-(cyclopropylamino)-1-(2,3-dihydrofuran-5-yl)ethanone.

Molecular Properties

Compound Name2-(cyclopropylamino)-1-(2,3-dihydrofuran-5-yl)ethanone
PubChem CID102652418
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name2-(cyclopropylamino)-1-(2,3-dihydrofuran-5-yl)ethanone
SMILESO=C(CNC1CC1)C1=CCCO1
InChIInChI=1S/C9H13NO2/c11-8(6-10-7-3-4-7)9-2-1-5-12-9/h2,7,10H,1,3-6H2
InChIKeyHZIYJJXYSVNJOL-UHFFFAOYSA-N
XLogP0.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-1-(2,3-dihydrofuran-5-yl)ethanone?
The IUPAC name of 2-(cyclopropylamino)-1-(2,3-dihydrofuran-5-yl)ethanone (CID 102652418) is 2-(cyclopropylamino)-1-(2,3-dihydrofuran-5-yl)ethanone.
What is the SMILES notation for 2-(cyclopropylamino)-1-(2,3-dihydrofuran-5-yl)ethanone?
The canonical SMILES for 2-(cyclopropylamino)-1-(2,3-dihydrofuran-5-yl)ethanone is O=C(CNC1CC1)C1=CCCO1.
What is the InChIKey of 2-(cyclopropylamino)-1-(2,3-dihydrofuran-5-yl)ethanone?
The InChIKey is HZIYJJXYSVNJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c11-8(6-10-7-3-4-7)9-2-1-5-12-9/h2,7,10H,1,3-6H2.
What are the key properties of 2-(cyclopropylamino)-1-(2,3-dihydrofuran-5-yl)ethanone?
2-(cyclopropylamino)-1-(2,3-dihydrofuran-5-yl)ethanone has a molecular weight of 167.21 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-1-(2,3-dihydrofuran-5-yl)ethanone is sourced from PubChem (CID 102652418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).