2-(butan-2-ylamino)-1-(2,3-dihydrofuran-5-yl)ethanone

C10H17NO2 — CID 102652422

IUPAC2-(butan-2-ylamino)-1-(2,3-dihydrofuran-5-yl)ethanone
SMILESCCC(C)NCC(=O)C1=CCCO1
InChIInChI=1S/C10H17NO2/c1-3-8(2)11-7-9(12)10-5-4-6-13-10/h5,8,11H,3-4,6-7H2,1-2H3
InChIKeyPGELHPIIMPUOHD-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.25
Rot. Bonds5

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

2-(butan-2-ylamino)-1-(2,3-dihydrofuran-5-yl)ethanone (PubChem CID 102652422) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-1-(2,3-dihydrofuran-5-yl)ethanone.

Molecular Properties

Compound Name2-(butan-2-ylamino)-1-(2,3-dihydrofuran-5-yl)ethanone
PubChem CID102652422
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-(butan-2-ylamino)-1-(2,3-dihydrofuran-5-yl)ethanone
SMILESCCC(C)NCC(=O)C1=CCCO1
InChIInChI=1S/C10H17NO2/c1-3-8(2)11-7-9(12)10-5-4-6-13-10/h5,8,11H,3-4,6-7H2,1-2H3
InChIKeyPGELHPIIMPUOHD-UHFFFAOYSA-N
XLogP1.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-1-(2,3-dihydrofuran-5-yl)ethanone?
The IUPAC name of 2-(butan-2-ylamino)-1-(2,3-dihydrofuran-5-yl)ethanone (CID 102652422) is 2-(butan-2-ylamino)-1-(2,3-dihydrofuran-5-yl)ethanone.
What is the SMILES notation for 2-(butan-2-ylamino)-1-(2,3-dihydrofuran-5-yl)ethanone?
The canonical SMILES for 2-(butan-2-ylamino)-1-(2,3-dihydrofuran-5-yl)ethanone is CCC(C)NCC(=O)C1=CCCO1.
What is the InChIKey of 2-(butan-2-ylamino)-1-(2,3-dihydrofuran-5-yl)ethanone?
The InChIKey is PGELHPIIMPUOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-8(2)11-7-9(12)10-5-4-6-13-10/h5,8,11H,3-4,6-7H2,1-2H3.
What are the key properties of 2-(butan-2-ylamino)-1-(2,3-dihydrofuran-5-yl)ethanone?
2-(butan-2-ylamino)-1-(2,3-dihydrofuran-5-yl)ethanone has a molecular weight of 183.25 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-1-(2,3-dihydrofuran-5-yl)ethanone is sourced from PubChem (CID 102652422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).