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

C9H15NO2 — CID 102652417

IUPAC1-(2,3-dihydrofuran-5-yl)-2-(propan-2-ylamino)ethanone
SMILESCC(C)NCC(=O)C1=CCCO1
InChIInChI=1S/C9H15NO2/c1-7(2)10-6-8(11)9-4-3-5-12-9/h4,7,10H,3,5-6H2,1-2H3
InChIKeyPEXRTQOQBCUSOB-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.86
Rot. Bonds4

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

1-(2,3-dihydrofuran-5-yl)-2-(propan-2-ylamino)ethanone (PubChem CID 102652417) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-2-(propan-2-ylamino)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-2-(propan-2-ylamino)ethanone
PubChem CID102652417
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-(2,3-dihydrofuran-5-yl)-2-(propan-2-ylamino)ethanone
SMILESCC(C)NCC(=O)C1=CCCO1
InChIInChI=1S/C9H15NO2/c1-7(2)10-6-8(11)9-4-3-5-12-9/h4,7,10H,3,5-6H2,1-2H3
InChIKeyPEXRTQOQBCUSOB-UHFFFAOYSA-N
XLogP0.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-Dihydrofuran-5-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 102652538
1-(4,5-Dihydrofuran-2-yl)-2-(methylamino)ethan-1-one
CID 84020687
1-(3,4-dihydro-2H-pyran-6-yl)-2-(methylamino)ethan-1-one
CID 84020971
1-(3,4-dihydro-2H-pyran-6-yl)-2-(propan-2-ylamino)ethanone
CID 102648293
2-(cyclopropylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
CID 102648294
2-(butan-2-ylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
CID 102648298
2-(cyclopentylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
CID 102648308
1-(3,4-dihydro-2H-pyran-6-yl)-2-(ethylamino)ethanone
CID 102648322
1-(3,4-dihydro-2H-pyran-6-yl)-2-(propylamino)ethanone
CID 102648323
1-(3,4-dihydro-2H-pyran-6-yl)-2-(methylamino)propan-1-one
CID 102648331
2-(tert-butylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
CID 102648415
1-(2,3-Dihydrofuran-5-yl)-2-(dimethylamino)ethanone
CID 102651028

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2-(propan-2-ylamino)ethanone?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2-(propan-2-ylamino)ethanone (CID 102652417) is 1-(2,3-dihydrofuran-5-yl)-2-(propan-2-ylamino)ethanone.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-2-(propan-2-ylamino)ethanone?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-2-(propan-2-ylamino)ethanone is CC(C)NCC(=O)C1=CCCO1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-2-(propan-2-ylamino)ethanone?
The InChIKey is PEXRTQOQBCUSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-7(2)10-6-8(11)9-4-3-5-12-9/h4,7,10H,3,5-6H2,1-2H3.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-2-(propan-2-ylamino)ethanone?
1-(2,3-dihydrofuran-5-yl)-2-(propan-2-ylamino)ethanone has a molecular weight of 169.22 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-5-yl)-2-(propan-2-ylamino)ethanone is sourced from PubChem (CID 102652417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).