[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone

C11H15NO3 — CID 66261406

IUPAC[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCC[C@@H]2CO)o1
InChIInChI=1S/C11H15NO3/c1-8-4-5-10(15-8)11(14)12-6-2-3-9(12)7-13/h4-5,9,13H,2-3,6-7H2,1H3/t9-/m1/s1
InChIKeyQUTVWULTNXRKBX-SECBINFHSA-N
MW209.24 g/mol
LogP1.18
Rot. Bonds2

About [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone

[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone (PubChem CID 66261406) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone
PubChem CID66261406
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCC[C@@H]2CO)o1
InChIInChI=1S/C11H15NO3/c1-8-4-5-10(15-8)11(14)12-6-2-3-9(12)7-13/h4-5,9,13H,2-3,6-7H2,1H3/t9-/m1/s1
InChIKeyQUTVWULTNXRKBX-SECBINFHSA-N
XLogP1.18
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 ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 62467531
(5-ethylfuran-2-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79028614
(5-bromofuran-2-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66261684
[2-(aminomethyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone;hydrochloride
CID 119468513
[2-(aminomethyl)azepan-1-yl]-(5-methylfuran-2-yl)methanone
CID 116639926
[2-(2-hydroxypropyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 79539295
[2-(2-hydroxypropyl)azepan-1-yl]-(5-methylfuran-2-yl)methanone
CID 79560605
[2-(hydroxymethyl)pyrrolidin-1-yl]-(6-methyl-1-benzofuran-2-yl)methanone
CID 112531904
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 66261699
3-methyl-1-(5-methylfuran-2-carbonyl)piperidine-2-carboxylic acid
CID 107069604
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(5-methylfuran-2-yl)prop-2-en-1-one
CID 79028986
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 115277573

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone?
The IUPAC name of [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone (CID 66261406) is [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone.
What is the SMILES notation for [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone?
The canonical SMILES for [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone is Cc1ccc(C(=O)N2CCC[C@@H]2CO)o1.
What is the InChIKey of [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone?
The InChIKey is QUTVWULTNXRKBX-SECBINFHSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8-4-5-10(15-8)11(14)12-6-2-3-9(12)7-13/h4-5,9,13H,2-3,6-7H2,1H3/t9-/m1/s1.
What are the key properties of [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone?
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone has a molecular weight of 209.24 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone is sourced from PubChem (CID 66261406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).