4,5,5-trimethyl-4-(5-methylfuran-2-yl)pyrrolidin-2-one

C12H17NO2 — CID 66107844

IUPAC4,5,5-trimethyl-4-(5-methylfuran-2-yl)pyrrolidin-2-one
SMILESCc1ccc(C2(C)CC(=O)NC2(C)C)o1
InChIInChI=1S/C12H17NO2/c1-8-5-6-9(15-8)12(4)7-10(14)13-11(12,2)3/h5-6H,7H2,1-4H3,(H,13,14)
InChIKeyORPZFPUHAPPDJK-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.14
Rot. Bonds1

About 4,5,5-trimethyl-4-(5-methylfuran-2-yl)pyrrolidin-2-one

4,5,5-trimethyl-4-(5-methylfuran-2-yl)pyrrolidin-2-one (PubChem CID 66107844) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 4,5,5-trimethyl-4-(5-methylfuran-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4,5,5-trimethyl-4-(5-methylfuran-2-yl)pyrrolidin-2-one
PubChem CID66107844
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name4,5,5-trimethyl-4-(5-methylfuran-2-yl)pyrrolidin-2-one
SMILESCc1ccc(C2(C)CC(=O)NC2(C)C)o1
InChIInChI=1S/C12H17NO2/c1-8-5-6-9(15-8)12(4)7-10(14)13-11(12,2)3/h5-6H,7H2,1-4H3,(H,13,14)
InChIKeyORPZFPUHAPPDJK-UHFFFAOYSA-N
XLogP2.14
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5,5-trimethyl-4-(3-methylthiophen-2-yl)pyrrolidin-2-one
CID 66106769
6-methyl-6-(5-methylfuran-2-yl)morpholin-3-one
CID 117159146
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4,5,5-trimethylpyrrolidin-2-one
CID 66108922
4-(2-fluoro-6-methoxyphenyl)-4,5,5-trimethylpyrrolidin-2-one
CID 113389402
2-methyl-2-(5-methylfuran-2-yl)piperidine
CID 117271321
1,2-dimethyl-2-(5-methylfuran-2-yl)pyrrolidin-3-amine
CID 112709702
5-methyl-5-(5-methylfuran-2-yl)-3-[2-(oxetan-3-yl)ethyl]imidazolidine-2,4-dione
CID 146142126
1-(5-methylfuran-2-yl)cyclopentan-1-amine
CID 96736840
N-methyl-1-(5-methylfuran-2-yl)cyclopropan-1-amine
CID 83681920
1-(5-methylfuran-2-yl)-2-propylcyclopropan-1-ol
CID 79332953
2-[1-(5-methylfuran-2-yl)cyclopropyl]pyrrolidine
CID 112714948
N',N'-dimethyl-1-(5-methylfuran-2-yl)cyclopropane-1-carbohydrazide
CID 116848375

Frequently Asked Questions

What is the IUPAC name of 4,5,5-trimethyl-4-(5-methylfuran-2-yl)pyrrolidin-2-one?
The IUPAC name of 4,5,5-trimethyl-4-(5-methylfuran-2-yl)pyrrolidin-2-one (CID 66107844) is 4,5,5-trimethyl-4-(5-methylfuran-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 4,5,5-trimethyl-4-(5-methylfuran-2-yl)pyrrolidin-2-one?
The canonical SMILES for 4,5,5-trimethyl-4-(5-methylfuran-2-yl)pyrrolidin-2-one is Cc1ccc(C2(C)CC(=O)NC2(C)C)o1.
What is the InChIKey of 4,5,5-trimethyl-4-(5-methylfuran-2-yl)pyrrolidin-2-one?
The InChIKey is ORPZFPUHAPPDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8-5-6-9(15-8)12(4)7-10(14)13-11(12,2)3/h5-6H,7H2,1-4H3,(H,13,14).
What are the key properties of 4,5,5-trimethyl-4-(5-methylfuran-2-yl)pyrrolidin-2-one?
4,5,5-trimethyl-4-(5-methylfuran-2-yl)pyrrolidin-2-one has a molecular weight of 207.27 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5-trimethyl-4-(5-methylfuran-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 66107844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).