5,5-dimethyl-4-pyrrolidin-1-ylfuran-2-one

C10H15NO2 — CID 25247336

IUPAC5,5-dimethyl-4-pyrrolidin-1-ylfuran-2-one
SMILESCC1(C)OC(=O)C=C1N1CCCC1
InChIInChI=1S/C10H15NO2/c1-10(2)8(7-9(12)13-10)11-5-3-4-6-11/h7H,3-6H2,1-2H3
InChIKeyVYEIQIMHHODCNT-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.30
Rot. Bonds1

About 5,5-dimethyl-4-pyrrolidin-1-ylfuran-2-one

5,5-dimethyl-4-pyrrolidin-1-ylfuran-2-one (PubChem CID 25247336) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 5,5-dimethyl-4-pyrrolidin-1-ylfuran-2-one.

Molecular Properties

Compound Name5,5-dimethyl-4-pyrrolidin-1-ylfuran-2-one
PubChem CID25247336
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name5,5-dimethyl-4-pyrrolidin-1-ylfuran-2-one
SMILESCC1(C)OC(=O)C=C1N1CCCC1
InChIInChI=1S/C10H15NO2/c1-10(2)8(7-9(12)13-10)11-5-3-4-6-11/h7H,3-6H2,1-2H3
InChIKeyVYEIQIMHHODCNT-UHFFFAOYSA-N
XLogP1.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-Dimethyl-4-morpholin-4-ylfuran-2-one
CID 11229369
5,5-dimethyl-4-(piperidin-1-yl)furan-2(5H)-one
CID 25247341
4-(Diethylamino)-5,5-dimethylfuran-2-one
CID 101727698
4-(Diethylamino)-5-ethyl-5-methylfuran-2-one
CID 134855888
5-Allyl-4-(pyrrolidin-1-yl)-furan-2(5h)-one
CID 11183152
2(5H)-Furanone, 5-methyl-4-(1-pyrrolidinyl)-
CID 11513810
ethyl (E)-4-[(2-methylpropan-2-yl)oxy]-3-pyrrolidin-1-ylbut-2-enoate
CID 134890938
tert-butyl (2E)-2-(1-methylpyrrolidin-2-ylidene)acetate
CID 12758235
5-Methoxy-5-methyl-4-pyrrolidin-1-ylfuran-2-one
CID 15073380
5-ethyl-5-methyl-4-(pyrrolidin-1-yl)furan-2(5H)-one
CID 25247337
5,5-Dimethyl-3-pyrrolidin-1-ylfuran-2-one
CID 145723027
2-methyl-4-pyrrolidin-1-yl-2H-furan-5-one
CID 176037725

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-4-pyrrolidin-1-ylfuran-2-one?
The IUPAC name of 5,5-dimethyl-4-pyrrolidin-1-ylfuran-2-one (CID 25247336) is 5,5-dimethyl-4-pyrrolidin-1-ylfuran-2-one.
What is the SMILES notation for 5,5-dimethyl-4-pyrrolidin-1-ylfuran-2-one?
The canonical SMILES for 5,5-dimethyl-4-pyrrolidin-1-ylfuran-2-one is CC1(C)OC(=O)C=C1N1CCCC1.
What is the InChIKey of 5,5-dimethyl-4-pyrrolidin-1-ylfuran-2-one?
The InChIKey is VYEIQIMHHODCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-10(2)8(7-9(12)13-10)11-5-3-4-6-11/h7H,3-6H2,1-2H3.
What are the key properties of 5,5-dimethyl-4-pyrrolidin-1-ylfuran-2-one?
5,5-dimethyl-4-pyrrolidin-1-ylfuran-2-one has a molecular weight of 181.24 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4-pyrrolidin-1-ylfuran-2-one is sourced from PubChem (CID 25247336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).