1-(2,3-dihydrofuran-5-yl)-2-(dimethylamino)-2-methylbutan-1-one

C11H19NO2 — CID 102651010

IUPAC1-(2,3-dihydrofuran-5-yl)-2-(dimethylamino)-2-methylbutan-1-one
SMILESCCC(C)(C(=O)C1=CCCO1)N(C)C
InChIInChI=1S/C11H19NO2/c1-5-11(2,12(3)4)10(13)9-7-6-8-14-9/h7H,5-6,8H2,1-4H3
InChIKeyADWOBCBCLBPVTM-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.59
Rot. Bonds4

About 1-(2,3-dihydrofuran-5-yl)-2-(dimethylamino)-2-methylbutan-1-one

1-(2,3-dihydrofuran-5-yl)-2-(dimethylamino)-2-methylbutan-1-one (PubChem CID 102651010) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-2-(dimethylamino)-2-methylbutan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-2-(dimethylamino)-2-methylbutan-1-one
PubChem CID102651010
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-(2,3-dihydrofuran-5-yl)-2-(dimethylamino)-2-methylbutan-1-one
SMILESCCC(C)(C(=O)C1=CCCO1)N(C)C
InChIInChI=1S/C11H19NO2/c1-5-11(2,12(3)4)10(13)9-7-6-8-14-9/h7H,5-6,8H2,1-4H3
InChIKeyADWOBCBCLBPVTM-UHFFFAOYSA-N
XLogP1.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydrofuran-5-yl)-2-ethoxy-2-methylbutan-1-one
CID 102651126
3-amino-1-(2,3-dihydrofuran-5-yl)-2,2-dimethylpropan-1-one
CID 102652579
2-amino-1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-2-methylpropan-1-one
CID 102652553
N-(2-methylbutan-2-yl)-2,3-dihydrofuran-5-carboxamide
CID 130684532
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one
CID 102646939
2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylpropan-1-one
CID 102648313
2-(dimethylamino)-1-(furan-3-yl)-2-methylbutan-1-one
CID 79064147
1-(2,3-dihydrofuran-5-yl)-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 102651812
2-(dimethylamino)-2-methyl-1-(4-phenylphenyl)butan-1-one
CID 79057003
1-(2,3-dihydrofuran-5-yl)but-3-en-1-one
CID 130171823
1-(2,3-dihydrofuran-5-yl)-2,2-difluoroethanone
CID 102651098
4-amino-1-(2,3-dihydrofuran-5-yl)butan-1-one
CID 102652411

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2-(dimethylamino)-2-methylbutan-1-one?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2-(dimethylamino)-2-methylbutan-1-one (CID 102651010) is 1-(2,3-dihydrofuran-5-yl)-2-(dimethylamino)-2-methylbutan-1-one.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-2-(dimethylamino)-2-methylbutan-1-one?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-2-(dimethylamino)-2-methylbutan-1-one is CCC(C)(C(=O)C1=CCCO1)N(C)C.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-2-(dimethylamino)-2-methylbutan-1-one?
The InChIKey is ADWOBCBCLBPVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-5-11(2,12(3)4)10(13)9-7-6-8-14-9/h7H,5-6,8H2,1-4H3.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-2-(dimethylamino)-2-methylbutan-1-one?
1-(2,3-dihydrofuran-5-yl)-2-(dimethylamino)-2-methylbutan-1-one has a molecular weight of 197.28 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-5-yl)-2-(dimethylamino)-2-methylbutan-1-one is sourced from PubChem (CID 102651010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).