[3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone

C11H15NO3 — CID 62348870

IUPAC[3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1CCC(CO)C1
InChIInChI=1S/C11H15NO3/c1-8-10(3-5-15-8)11(14)12-4-2-9(6-12)7-13/h3,5,9,13H,2,4,6-7H2,1H3
InChIKeyLAONGOPJGWOWHK-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.04
Rot. Bonds2

About [3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone

[3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone (PubChem CID 62348870) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is [3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
PubChem CID62348870
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name[3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1CCC(CO)C1
InChIInChI=1S/C11H15NO3/c1-8-10(3-5-15-8)11(14)12-4-2-9(6-12)7-13/h3,5,9,13H,2,4,6-7H2,1H3
InChIKeyLAONGOPJGWOWHK-UHFFFAOYSA-N
XLogP1.04
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(ethylaminomethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 80551479
(2,5-dimethylphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62370766
methyl (3S,4R)-3-methyl-1-(2-methylfuran-3-carbonyl)piperidine-4-carboxylate
CID 99859108
(3-hydroxyazetidin-1-yl)-(2-methylfuran-3-yl)methanone
CID 63105467
[4-(2-bromoethoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 82700857
(4-benzylpiperidin-1-yl)-[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone
CID 3492446
(2-amino-5-methylphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112623690
[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 42780034
ethyl 1-(2-methylfuran-3-carbonyl)piperidine-3-carboxylate
CID 43406992
(2,6-dimethylmorpholin-4-yl)-(2-methylfuran-3-yl)methanone
CID 25236975
(2-bromophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62348185
[3-(hydroxymethyl)pyrrolidin-1-yl]-(2,3,4,5,6-pentamethylphenyl)methanone
CID 62370587

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone?
The IUPAC name of [3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone (CID 62348870) is [3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for [3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone?
The canonical SMILES for [3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone is Cc1occc1C(=O)N1CCC(CO)C1.
What is the InChIKey of [3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone?
The InChIKey is LAONGOPJGWOWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8-10(3-5-15-8)11(14)12-4-2-9(6-12)7-13/h3,5,9,13H,2,4,6-7H2,1H3.
What are the key properties of [3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone?
[3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone has a molecular weight of 209.24 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 62348870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).