1-(2,3-dihydrofuran-5-yl)-2-methyl-3-(methylamino)propan-1-one

C9H15NO2 — CID 102652532

IUPAC1-(2,3-dihydrofuran-5-yl)-2-methyl-3-(methylamino)propan-1-one
SMILESCNCC(C)C(=O)C1=CCCO1
InChIInChI=1S/C9H15NO2/c1-7(6-10-2)9(11)8-4-3-5-12-8/h4,7,10H,3,5-6H2,1-2H3
InChIKeyKVTIYIOXJXNANK-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.72
Rot. Bonds4

About 1-(2,3-dihydrofuran-5-yl)-2-methyl-3-(methylamino)propan-1-one

1-(2,3-dihydrofuran-5-yl)-2-methyl-3-(methylamino)propan-1-one (PubChem CID 102652532) 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-methyl-3-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-2-methyl-3-(methylamino)propan-1-one
PubChem CID102652532
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-(2,3-dihydrofuran-5-yl)-2-methyl-3-(methylamino)propan-1-one
SMILESCNCC(C)C(=O)C1=CCCO1
InChIInChI=1S/C9H15NO2/c1-7(6-10-2)9(11)8-4-3-5-12-8/h4,7,10H,3,5-6H2,1-2H3
InChIKeyKVTIYIOXJXNANK-UHFFFAOYSA-N
XLogP0.72
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 ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-3-(pyrrolidin-3-ylmethoxy)pyran-4-one
CID 84676764
1-(3,4-dihydro-2H-pyran-6-yl)-3-(propan-2-ylamino)propan-1-one
CID 102648299
3-(tert-butylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one
CID 102648304
1-(3,4-dihydro-2H-pyran-6-yl)-3-(methylamino)propan-1-one
CID 102648317
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
1-(3,4-dihydro-2H-pyran-6-yl)-3-(ethylamino)propan-1-one
CID 102648334
azetidin-3-yl(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648397
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-3-(methylamino)propan-1-one
CID 102648408
1-(2,3-Dihydrofuran-5-yl)-3-(dimethylamino)propan-1-one
CID 102651077
3-Amino-1-(4,5-dihydrofuran-2-yl)propan-1-one
CID 102652402
1-(2,3-Dihydrofuran-5-yl)-3-(propan-2-ylamino)propan-1-one
CID 102652423

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2-methyl-3-(methylamino)propan-1-one?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2-methyl-3-(methylamino)propan-1-one (CID 102652532) is 1-(2,3-dihydrofuran-5-yl)-2-methyl-3-(methylamino)propan-1-one.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-2-methyl-3-(methylamino)propan-1-one?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-2-methyl-3-(methylamino)propan-1-one is CNCC(C)C(=O)C1=CCCO1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-2-methyl-3-(methylamino)propan-1-one?
The InChIKey is KVTIYIOXJXNANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-7(6-10-2)9(11)8-4-3-5-12-8/h4,7,10H,3,5-6H2,1-2H3.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-2-methyl-3-(methylamino)propan-1-one?
1-(2,3-dihydrofuran-5-yl)-2-methyl-3-(methylamino)propan-1-one has a molecular weight of 169.22 g/mol, XLogP of 0.72, 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-methyl-3-(methylamino)propan-1-one is sourced from PubChem (CID 102652532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).