(5-methylfuran-2-yl)-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]methanone

C13H20N2O2 — CID 115270641

IUPAC(5-methylfuran-2-yl)-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCNCC1(C)CCCN1C(=O)c1ccc(C)o1
InChIInChI=1S/C13H20N2O2/c1-10-5-6-11(17-10)12(16)15-8-4-7-13(15,2)9-14-3/h5-6,14H,4,7-9H2,1-3H3
InChIKeyZEDJMFMNBFAWOS-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.80
Rot. Bonds3

About (5-methylfuran-2-yl)-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]methanone

(5-methylfuran-2-yl)-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]methanone (PubChem CID 115270641) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is (5-methylfuran-2-yl)-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methylfuran-2-yl)-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]methanone
PubChem CID115270641
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name(5-methylfuran-2-yl)-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCNCC1(C)CCCN1C(=O)c1ccc(C)o1
InChIInChI=1S/C13H20N2O2/c1-10-5-6-11(17-10)12(16)15-8-4-7-13(15,2)9-14-3/h5-6,14H,4,7-9H2,1-3H3
InChIKeyZEDJMFMNBFAWOS-UHFFFAOYSA-N
XLogP1.80
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 115270635
1-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 115267025
1-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 115270676
5-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]furan-2-carboxamide
CID 115271474
5,5-dimethyl-1-(5-methylfuran-2-carbonyl)pyrrolidin-3-one
CID 115275530
1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]-3-(1H-pyrrol-3-yl)propan-1-one
CID 115270824
(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-(5-methylfuran-2-yl)methanone
CID 155876019
1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]-2-(1H-pyrrol-2-yl)ethanone
CID 115270809
3,3-dimethyl-1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]butan-1-one
CID 115270808
[3-(methylamino)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 81466961
(5S,9R)-N-methyl-2-(5-methylfuran-2-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 125215989
N'-hydroxy-4-methyl-1-(5-methylfuran-2-carbonyl)piperidine-4-carboximidamide
CID 107162414

Frequently Asked Questions

What is the IUPAC name of (5-methylfuran-2-yl)-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-methylfuran-2-yl)-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]methanone (CID 115270641) is (5-methylfuran-2-yl)-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-methylfuran-2-yl)-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-methylfuran-2-yl)-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]methanone is CNCC1(C)CCCN1C(=O)c1ccc(C)o1.
What is the InChIKey of (5-methylfuran-2-yl)-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The InChIKey is ZEDJMFMNBFAWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-5-6-11(17-10)12(16)15-8-4-7-13(15,2)9-14-3/h5-6,14H,4,7-9H2,1-3H3.
What are the key properties of (5-methylfuran-2-yl)-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]methanone?
(5-methylfuran-2-yl)-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]methanone has a molecular weight of 236.31 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylfuran-2-yl)-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 115270641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).