(3-methoxypyrrolidin-1-yl)-(5-methylfuran-2-yl)methanone

C11H15NO3 — CID 108730619

IUPAC(3-methoxypyrrolidin-1-yl)-(5-methylfuran-2-yl)methanone
SMILESCOC1CCN(C(=O)c2ccc(C)o2)C1
InChIInChI=1S/C11H15NO3/c1-8-3-4-10(15-8)11(13)12-6-5-9(7-12)14-2/h3-4,9H,5-7H2,1-2H3
InChIKeyDKUJCWUDJYBBSL-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.45
Rot. Bonds2

About (3-methoxypyrrolidin-1-yl)-(5-methylfuran-2-yl)methanone

(3-methoxypyrrolidin-1-yl)-(5-methylfuran-2-yl)methanone (PubChem CID 108730619) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is (3-methoxypyrrolidin-1-yl)-(5-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name(3-methoxypyrrolidin-1-yl)-(5-methylfuran-2-yl)methanone
PubChem CID108730619
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name(3-methoxypyrrolidin-1-yl)-(5-methylfuran-2-yl)methanone
SMILESCOC1CCN(C(=O)c2ccc(C)o2)C1
InChIInChI=1S/C11H15NO3/c1-8-3-4-10(15-8)11(13)12-6-5-9(7-12)14-2/h3-4,9H,5-7H2,1-2H3
InChIKeyDKUJCWUDJYBBSL-UHFFFAOYSA-N
XLogP1.45
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(methylamino)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 81466961
(4-bromopiperidin-1-yl)-(5-methylfuran-2-yl)methanone
CID 80661568
[3-(2-chloroethyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 114801301
(2,5-dimethylphenyl)-[(3S)-3-methoxypyrrolidin-1-yl]methanone
CID 166697905
2-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]acetic acid
CID 62689560
(5-methylfuran-2-yl)-[(3R)-3-(phenylsulfanylmethyl)pyrrolidin-1-yl]methanone
CID 97318596
(2-bromofuran-3-yl)-(3-methoxypyrrolidin-1-yl)methanone
CID 106854462
[3-(2-chloroethyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 55186498
[3-(bromomethyl)azetidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 130531455
[(4aR,8aR)-4-methylsulfonyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(5-methylfuran-2-yl)methanone
CID 124801822
[4-(3-hydroxy-3-methylbutyl)phenyl]-(3-methoxypyrrolidin-1-yl)methanone
CID 70781727
N-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]methanesulfonamide
CID 47184451

Frequently Asked Questions

What is the IUPAC name of (3-methoxypyrrolidin-1-yl)-(5-methylfuran-2-yl)methanone?
The IUPAC name of (3-methoxypyrrolidin-1-yl)-(5-methylfuran-2-yl)methanone (CID 108730619) is (3-methoxypyrrolidin-1-yl)-(5-methylfuran-2-yl)methanone.
What is the SMILES notation for (3-methoxypyrrolidin-1-yl)-(5-methylfuran-2-yl)methanone?
The canonical SMILES for (3-methoxypyrrolidin-1-yl)-(5-methylfuran-2-yl)methanone is COC1CCN(C(=O)c2ccc(C)o2)C1.
What is the InChIKey of (3-methoxypyrrolidin-1-yl)-(5-methylfuran-2-yl)methanone?
The InChIKey is DKUJCWUDJYBBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8-3-4-10(15-8)11(13)12-6-5-9(7-12)14-2/h3-4,9H,5-7H2,1-2H3.
What are the key properties of (3-methoxypyrrolidin-1-yl)-(5-methylfuran-2-yl)methanone?
(3-methoxypyrrolidin-1-yl)-(5-methylfuran-2-yl)methanone has a molecular weight of 209.25 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxypyrrolidin-1-yl)-(5-methylfuran-2-yl)methanone is sourced from PubChem (CID 108730619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).