3-amino-1-(2,3-dihydrofuran-5-yl)-2-methylpropan-1-one

C8H13NO2 — CID 102652453

IUPAC3-amino-1-(2,3-dihydrofuran-5-yl)-2-methylpropan-1-one
SMILESCC(CN)C(=O)C1=CCCO1
InChIInChI=1S/C8H13NO2/c1-6(5-9)8(10)7-3-2-4-11-7/h3,6H,2,4-5,9H2,1H3
InChIKeyZVLFNJSQIBZAEL-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.45
Rot. Bonds3

About 3-amino-1-(2,3-dihydrofuran-5-yl)-2-methylpropan-1-one

3-amino-1-(2,3-dihydrofuran-5-yl)-2-methylpropan-1-one (PubChem CID 102652453) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 3-amino-1-(2,3-dihydrofuran-5-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-(2,3-dihydrofuran-5-yl)-2-methylpropan-1-one
PubChem CID102652453
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name3-amino-1-(2,3-dihydrofuran-5-yl)-2-methylpropan-1-one
SMILESCC(CN)C(=O)C1=CCCO1
InChIInChI=1S/C8H13NO2/c1-6(5-9)8(10)7-3-2-4-11-7/h3,6H,2,4-5,9H2,1H3
InChIKeyZVLFNJSQIBZAEL-UHFFFAOYSA-N
XLogP0.45
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one
CID 102648279
3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylpropan-1-one
CID 102648329
1-(3,4-dihydro-2H-pyran-6-yl)-3-(ethylamino)-2-methylpropan-1-one
CID 102648332
2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutan-1-one
CID 102648363
2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one
CID 102648367
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-3-(methylamino)propan-1-one
CID 102648408
3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2,2-dimethylpropan-1-one
CID 102648453
3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-one
CID 102648496
3-Amino-1-(4,5-dihydrofuran-2-yl)propan-1-one
CID 102652402
3-Amino-1-(4,5-dihydrofuran-2-yl)butan-1-one
CID 102652421
3-(Tert-butylamino)-1-(2,3-dihydrofuran-5-yl)propan-1-one
CID 102652428
1-(4,5-Dihydrofuran-2-yl)-3-(methylamino)propan-1-one
CID 102652440

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,3-dihydrofuran-5-yl)-2-methylpropan-1-one?
The IUPAC name of 3-amino-1-(2,3-dihydrofuran-5-yl)-2-methylpropan-1-one (CID 102652453) is 3-amino-1-(2,3-dihydrofuran-5-yl)-2-methylpropan-1-one.
What is the SMILES notation for 3-amino-1-(2,3-dihydrofuran-5-yl)-2-methylpropan-1-one?
The canonical SMILES for 3-amino-1-(2,3-dihydrofuran-5-yl)-2-methylpropan-1-one is CC(CN)C(=O)C1=CCCO1.
What is the InChIKey of 3-amino-1-(2,3-dihydrofuran-5-yl)-2-methylpropan-1-one?
The InChIKey is ZVLFNJSQIBZAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-6(5-9)8(10)7-3-2-4-11-7/h3,6H,2,4-5,9H2,1H3.
What are the key properties of 3-amino-1-(2,3-dihydrofuran-5-yl)-2-methylpropan-1-one?
3-amino-1-(2,3-dihydrofuran-5-yl)-2-methylpropan-1-one has a molecular weight of 155.20 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,3-dihydrofuran-5-yl)-2-methylpropan-1-one is sourced from PubChem (CID 102652453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).