2-[1-(3-methylfuran-2-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one

C15H19NO3 — CID 79547381

IUPAC2-[1-(3-methylfuran-2-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one
SMILESCc1ccoc1C(=O)N1CCCC1C1CCCC1=O
InChIInChI=1S/C15H19NO3/c1-10-7-9-19-14(10)15(18)16-8-3-5-12(16)11-4-2-6-13(11)17/h7,9,11-12H,2-6,8H2,1H3
InChIKeyHWLQVJDRLQDZJA-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.56
Rot. Bonds2

About 2-[1-(3-methylfuran-2-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one

2-[1-(3-methylfuran-2-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one (PubChem CID 79547381) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[1-(3-methylfuran-2-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[1-(3-methylfuran-2-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one
PubChem CID79547381
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-[1-(3-methylfuran-2-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one
SMILESCc1ccoc1C(=O)N1CCCC1C1CCCC1=O
InChIInChI=1S/C15H19NO3/c1-10-7-9-19-14(10)15(18)16-8-3-5-12(16)11-4-2-6-13(11)17/h7,9,11-12H,2-6,8H2,1H3
InChIKeyHWLQVJDRLQDZJA-UHFFFAOYSA-N
XLogP2.56
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-[(1R,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 129372840
2-[1-(3,5-dimethylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79538753
2-[1-(3-hydroxy-2-methylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 82809405
2-[1-(5-methylfuran-3-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 114820809
2-[1-(2,4,5-trimethylfuran-3-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79539002
2-[1-(2-hydroxy-5-methylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79538771
1-(3-methylfuran-2-carbonyl)piperidine-2-carboxylic acid
CID 3150890
2-[1-(4-bromobenzoyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 79539470
2-[1-(2,3-dihydroxybenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 114343667
[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 95357633
(3-chloropiperidin-1-yl)-(3-methylfuran-2-yl)methanone
CID 63393139
[2-(hydroxymethyl)azepan-1-yl]-(3-methylfuran-2-yl)methanone
CID 116636174

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylfuran-2-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one?
The IUPAC name of 2-[1-(3-methylfuran-2-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one (CID 79547381) is 2-[1-(3-methylfuran-2-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[1-(3-methylfuran-2-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one?
The canonical SMILES for 2-[1-(3-methylfuran-2-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one is Cc1ccoc1C(=O)N1CCCC1C1CCCC1=O.
What is the InChIKey of 2-[1-(3-methylfuran-2-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one?
The InChIKey is HWLQVJDRLQDZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10-7-9-19-14(10)15(18)16-8-3-5-12(16)11-4-2-6-13(11)17/h7,9,11-12H,2-6,8H2,1H3.
What are the key properties of 2-[1-(3-methylfuran-2-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one?
2-[1-(3-methylfuran-2-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one has a molecular weight of 261.32 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylfuran-2-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one is sourced from PubChem (CID 79547381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).