1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone

C10H13NO2 — CID 124500835

IUPAC1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H]1c1ccco1
InChIInChI=1S/C10H13NO2/c1-8(12)11-6-2-4-9(11)10-5-3-7-13-10/h3,5,7,9H,2,4,6H2,1H3/t9-/m1/s1
InChIKeyMJHCONDNLSHLCI-SECBINFHSA-N
MW179.22 g/mol
LogP1.96
Rot. Bonds1

About 1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone

1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone (PubChem CID 124500835) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone
PubChem CID124500835
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H]1c1ccco1
InChIInChI=1S/C10H13NO2/c1-8(12)11-6-2-4-9(11)10-5-3-7-13-10/h3,5,7,9H,2,4,6H2,1H3/t9-/m1/s1
InChIKeyMJHCONDNLSHLCI-SECBINFHSA-N
XLogP1.96
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(furan-2-yl)pyrrolidin-1-yl]prop-2-en-1-one
CID 51346068
4-[(2S)-2-(furan-2-yl)pyrrolidine-1-carbonyl]benzoic acid
CID 124701060
4-[2-(furan-2-yl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674179
trans-(1R,2R)-2-[(2R)-2-(furan-2-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 99851614
[(2S)-2-(furan-2-yl)azepan-1-yl]-pyrrolidin-1-ylmethanone
CID 95728453
tert-butyl (2S)-2-(furan-2-yl)piperidine-1-carboxylate
CID 124500862
(2S)-2-(furan-2-yl)-1-methylpyrrolidine
CID 24894514
[2-(furan-2-yl)pyrrolidin-1-yl]-(5-methylsulfonylfuran-2-yl)methanone
CID 86960921
[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 97453901
[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 92721203
2-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]acetic acid
CID 42575452
N-(2,5-dimethylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 20895990

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone (CID 124500835) is 1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone is CC(=O)N1CCC[C@@H]1c1ccco1.
What is the InChIKey of 1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is MJHCONDNLSHLCI-SECBINFHSA-N. The full InChI is InChI=1S/C10H13NO2/c1-8(12)11-6-2-4-9(11)10-5-3-7-13-10/h3,5,7,9H,2,4,6H2,1H3/t9-/m1/s1.
What are the key properties of 1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone?
1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 179.22 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 124500835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).