1-[1-(furan-2-carbonyl)pyrrolidin-2-yl]propan-2-one

C12H15NO3 — CID 79540989

IUPAC1-[1-(furan-2-carbonyl)pyrrolidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCN1C(=O)c1ccco1
InChIInChI=1S/C12H15NO3/c1-9(14)8-10-4-2-6-13(10)12(15)11-5-3-7-16-11/h3,5,7,10H,2,4,6,8H2,1H3
InChIKeyMVISZBOMYXQUMO-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.86
Rot. Bonds3

About 1-[1-(furan-2-carbonyl)pyrrolidin-2-yl]propan-2-one

1-[1-(furan-2-carbonyl)pyrrolidin-2-yl]propan-2-one (PubChem CID 79540989) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-[1-(furan-2-carbonyl)pyrrolidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-(furan-2-carbonyl)pyrrolidin-2-yl]propan-2-one
PubChem CID79540989
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name1-[1-(furan-2-carbonyl)pyrrolidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCN1C(=O)c1ccco1
InChIInChI=1S/C12H15NO3/c1-9(14)8-10-4-2-6-13(10)12(15)11-5-3-7-16-11/h3,5,7,10H,2,4,6,8H2,1H3
InChIKeyMVISZBOMYXQUMO-UHFFFAOYSA-N
XLogP1.86
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(bromomethyl)pyrrolidin-1-yl]-(furan-2-yl)methanone
CID 74554943
furan-2-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119651190
furan-2-yl-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 29348367
1-[1-(5-bromofuran-2-carbonyl)piperidin-2-yl]propan-2-one
CID 79549097
1-[1-(pyridine-4-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79541349
1-[1-(5-ethylthiophene-2-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79540609
1-[1-(naphthalene-2-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79538788
[2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(furan-2-yl)methanone
CID 155881609
2-[(2R)-1-[(2S)-1-(furan-2-carbonyl)piperidine-2-carbonyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 98237654
1-[1-(2,6-dihydroxybenzoyl)azepan-2-yl]propan-2-one
CID 107688771
N-[[(2R)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methyl]-N,5-dimethyl-2H-triazole-4-carboxamide
CID 167755789
(2R)-N-[(1-ethylcyclobutyl)methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 97011673

Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-2-carbonyl)pyrrolidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-(furan-2-carbonyl)pyrrolidin-2-yl]propan-2-one (CID 79540989) is 1-[1-(furan-2-carbonyl)pyrrolidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-(furan-2-carbonyl)pyrrolidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-(furan-2-carbonyl)pyrrolidin-2-yl]propan-2-one is CC(=O)CC1CCCN1C(=O)c1ccco1.
What is the InChIKey of 1-[1-(furan-2-carbonyl)pyrrolidin-2-yl]propan-2-one?
The InChIKey is MVISZBOMYXQUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-9(14)8-10-4-2-6-13(10)12(15)11-5-3-7-16-11/h3,5,7,10H,2,4,6,8H2,1H3.
What are the key properties of 1-[1-(furan-2-carbonyl)pyrrolidin-2-yl]propan-2-one?
1-[1-(furan-2-carbonyl)pyrrolidin-2-yl]propan-2-one has a molecular weight of 221.26 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-2-carbonyl)pyrrolidin-2-yl]propan-2-one is sourced from PubChem (CID 79540989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).