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

C9H15NO2 — CID 102652459

IUPAC1-(2,3-dihydrofuran-5-yl)-2-methyl-2-(methylamino)propan-1-one
SMILESCNC(C)(C)C(=O)C1=CCCO1
InChIInChI=1S/C9H15NO2/c1-9(2,10-3)8(11)7-5-4-6-12-7/h5,10H,4,6H2,1-3H3
InChIKeyZIYMJQGOMYJGGY-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.86
Rot. Bonds3

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

1-(2,3-dihydrofuran-5-yl)-2-methyl-2-(methylamino)propan-1-one (PubChem CID 102652459) 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-2-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-2-methyl-2-(methylamino)propan-1-one
PubChem CID102652459
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-(2,3-dihydrofuran-5-yl)-2-methyl-2-(methylamino)propan-1-one
SMILESCNC(C)(C)C(=O)C1=CCCO1
InChIInChI=1S/C9H15NO2/c1-9(2,10-3)8(11)7-5-4-6-12-7/h5,10H,4,6H2,1-3H3
InChIKeyZIYMJQGOMYJGGY-UHFFFAOYSA-N
XLogP0.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

CID 102648331
CID 102648331
CID 102648335
CID 102648335
CID 102648336
CID 102648336
CID 102648415
CID 102648415
CID 102651004
CID 102651004
CID 102651005
CID 102651005
CID 102652417
CID 102652417
CID 102652422
CID 102652422
CID 102652428
CID 102652428
CID 102652437
CID 102652437
CID 102652446
CID 102652446
CID 102652447
CID 102652447

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2-methyl-2-(methylamino)propan-1-one?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2-methyl-2-(methylamino)propan-1-one (CID 102652459) is 1-(2,3-dihydrofuran-5-yl)-2-methyl-2-(methylamino)propan-1-one.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-2-methyl-2-(methylamino)propan-1-one?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-2-methyl-2-(methylamino)propan-1-one is CNC(C)(C)C(=O)C1=CCCO1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-2-methyl-2-(methylamino)propan-1-one?
The InChIKey is ZIYMJQGOMYJGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-9(2,10-3)8(11)7-5-4-6-12-7/h5,10H,4,6H2,1-3H3.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-2-methyl-2-(methylamino)propan-1-one?
1-(2,3-dihydrofuran-5-yl)-2-methyl-2-(methylamino)propan-1-one has a molecular weight of 169.22 g/mol, XLogP of 0.86, 3 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-2-(methylamino)propan-1-one is sourced from PubChem (CID 102652459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).