furan-2-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone

C12H17NO2 — CID 115686874

IUPACfuran-2-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)c2ccco2)C1
InChIInChI=1S/C12H17NO2/c1-9(2)10-5-6-13(8-10)12(14)11-4-3-7-15-11/h3-4,7,9-10H,5-6,8H2,1-2H3
InChIKeySMZBYKDETXIYPU-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.40
Rot. Bonds2

About furan-2-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone

furan-2-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone (PubChem CID 115686874) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is furan-2-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Namefuran-2-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone
PubChem CID115686874
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Namefuran-2-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)c2ccco2)C1
InChIInChI=1S/C12H17NO2/c1-9(2)10-5-6-13(8-10)12(14)11-4-3-7-15-11/h3-4,7,9-10H,5-6,8H2,1-2H3
InChIKeySMZBYKDETXIYPU-UHFFFAOYSA-N
XLogP2.40
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-(furan-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917226
1-(furan-2-carbonyl)piperidine-3,4-dicarboxylic acid
CID 112568035
furan-2-yl-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 71805486
(4-bromo-3-methylpiperidin-1-yl)-(furan-2-yl)methanone
CID 114683288
furan-2-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 62947254
5-(3-propan-2-ylpyrrolidine-1-carbonyl)furan-3-carboxylic acid
CID 104607879
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(furan-2-yl)methanone
CID 669413
(3,5-dimethylpiperidin-1-yl)-(furan-2-yl)methanone
CID 3554553
1-(furan-2-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 9374659
[3-ethyl-4-(ethylamino)piperidin-1-yl]-(furan-2-yl)methanone
CID 114506827
furan-2-yl-[4-[methoxy(phenyl)methyl]piperidin-1-yl]methanone
CID 110357772
(3-chloropiperidin-1-yl)-(furan-2-yl)methanone
CID 63392823

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of furan-2-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone (CID 115686874) is furan-2-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for furan-2-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for furan-2-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone is CC(C)C1CCN(C(=O)c2ccco2)C1.
What is the InChIKey of furan-2-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is SMZBYKDETXIYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9(2)10-5-6-13(8-10)12(14)11-4-3-7-15-11/h3-4,7,9-10H,5-6,8H2,1-2H3.
What are the key properties of furan-2-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone?
furan-2-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 207.27 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 115686874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).