2-[1-(2,4,5-trimethylfuran-3-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one

C17H23NO3 — CID 79539002

IUPAC2-[1-(2,4,5-trimethylfuran-3-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one
SMILESCc1oc(C)c(C(=O)N2CCCC2C2CCCC2=O)c1C
InChIInChI=1S/C17H23NO3/c1-10-11(2)21-12(3)16(10)17(20)18-9-5-7-14(18)13-6-4-8-15(13)19/h13-14H,4-9H2,1-3H3
InChIKeyRMAOESBUYPMHLI-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.18
Rot. Bonds2

About 2-[1-(2,4,5-trimethylfuran-3-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one

2-[1-(2,4,5-trimethylfuran-3-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one (PubChem CID 79539002) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[1-(2,4,5-trimethylfuran-3-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[1-(2,4,5-trimethylfuran-3-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one
PubChem CID79539002
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name2-[1-(2,4,5-trimethylfuran-3-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one
SMILESCc1oc(C)c(C(=O)N2CCCC2C2CCCC2=O)c1C
InChIInChI=1S/C17H23NO3/c1-10-11(2)21-12(3)16(10)17(20)18-9-5-7-14(18)13-6-4-8-15(13)19/h13-14H,4-9H2,1-3H3
InChIKeyRMAOESBUYPMHLI-UHFFFAOYSA-N
XLogP3.18
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4,5-trimethylfuran-3-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one?
The IUPAC name of 2-[1-(2,4,5-trimethylfuran-3-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one (CID 79539002) is 2-[1-(2,4,5-trimethylfuran-3-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[1-(2,4,5-trimethylfuran-3-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one?
The canonical SMILES for 2-[1-(2,4,5-trimethylfuran-3-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one is Cc1oc(C)c(C(=O)N2CCCC2C2CCCC2=O)c1C.
What is the InChIKey of 2-[1-(2,4,5-trimethylfuran-3-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one?
The InChIKey is RMAOESBUYPMHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-10-11(2)21-12(3)16(10)17(20)18-9-5-7-14(18)13-6-4-8-15(13)19/h13-14H,4-9H2,1-3H3.
What are the key properties of 2-[1-(2,4,5-trimethylfuran-3-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one?
2-[1-(2,4,5-trimethylfuran-3-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one has a molecular weight of 289.38 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4,5-trimethylfuran-3-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one is sourced from PubChem (CID 79539002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).