furan-2-yl-(3-methylpyrrolidin-3-yl)methanone

C10H13NO2 — CID 116570107

IUPACfuran-2-yl-(3-methylpyrrolidin-3-yl)methanone
SMILESCC1(C(=O)c2ccco2)CCNC1
InChIInChI=1S/C10H13NO2/c1-10(4-5-11-7-10)9(12)8-3-2-6-13-8/h2-3,6,11H,4-5,7H2,1H3
InChIKeyWPXPUMOHLUTDIC-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.46
Rot. Bonds2

About furan-2-yl-(3-methylpyrrolidin-3-yl)methanone

furan-2-yl-(3-methylpyrrolidin-3-yl)methanone (PubChem CID 116570107) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is furan-2-yl-(3-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Namefuran-2-yl-(3-methylpyrrolidin-3-yl)methanone
PubChem CID116570107
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Namefuran-2-yl-(3-methylpyrrolidin-3-yl)methanone
SMILESCC1(C(=O)c2ccco2)CCNC1
InChIInChI=1S/C10H13NO2/c1-10(4-5-11-7-10)9(12)8-3-2-6-13-8/h2-3,6,11H,4-5,7H2,1H3
InChIKeyWPXPUMOHLUTDIC-UHFFFAOYSA-N
XLogP1.46
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethylphenyl)-(3-methylpyrrolidin-3-yl)methanone
CID 116570011
(2-ethylpyrrolidin-2-yl)-(furan-2-yl)methanone
CID 116608283
(2,2-dimethyl-1,4-diazepan-1-yl)-(furan-2-yl)methanone
CID 82242304
(4-fluorophenyl)-(3-methylpyrrolidin-3-yl)methanone
CID 116569947
[1-(dimethylamino)cyclopentyl]-(furan-2-yl)methanone
CID 79067370
1-benzofuran-2-yl-(3-methylpiperidin-3-yl)methanone
CID 114736550
3,4-dihydro-2H-pyran-6-yl-(3-methylpyrrolidin-3-yl)methanone
CID 102648349
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpyrrolidine-3-carboxamide
CID 107231126
(2-chlorothiophen-3-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 130646168
(4-fluoro-3-methylphenyl)-(3-methylpyrrolidin-3-yl)methanone
CID 116570075
N-[(4-methoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119673811
1-(3-methylpyrrolidin-3-yl)-2-thiophen-2-ylethanone
CID 116569911

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-(3-methylpyrrolidin-3-yl)methanone?
The IUPAC name of furan-2-yl-(3-methylpyrrolidin-3-yl)methanone (CID 116570107) is furan-2-yl-(3-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for furan-2-yl-(3-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for furan-2-yl-(3-methylpyrrolidin-3-yl)methanone is CC1(C(=O)c2ccco2)CCNC1.
What is the InChIKey of furan-2-yl-(3-methylpyrrolidin-3-yl)methanone?
The InChIKey is WPXPUMOHLUTDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-10(4-5-11-7-10)9(12)8-3-2-6-13-8/h2-3,6,11H,4-5,7H2,1H3.
What are the key properties of furan-2-yl-(3-methylpyrrolidin-3-yl)methanone?
furan-2-yl-(3-methylpyrrolidin-3-yl)methanone has a molecular weight of 179.22 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-(3-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 116570107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).