(2-methylfuran-3-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone

C14H20N2O2 — CID 62274234

IUPAC(2-methylfuran-3-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
SMILESCc1occc1C(=O)N1CCCC1C1CCCN1
InChIInChI=1S/C14H20N2O2/c1-10-11(6-9-18-10)14(17)16-8-3-5-13(16)12-4-2-7-15-12/h6,9,12-13,15H,2-5,7-8H2,1H3
InChIKeyDKJTWZGQJGVSRT-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.94
Rot. Bonds2

About (2-methylfuran-3-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone

(2-methylfuran-3-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone (PubChem CID 62274234) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (2-methylfuran-3-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-methylfuran-3-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
PubChem CID62274234
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(2-methylfuran-3-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
SMILESCc1occc1C(=O)N1CCCC1C1CCCN1
InChIInChI=1S/C14H20N2O2/c1-10-11(6-9-18-10)14(17)16-8-3-5-13(16)12-4-2-7-15-12/h6,9,12-13,15H,2-5,7-8H2,1H3
InChIKeyDKJTWZGQJGVSRT-UHFFFAOYSA-N
XLogP1.94
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methylfuran-3-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-methylfuran-3-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone (CID 62274234) is (2-methylfuran-3-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-methylfuran-3-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-methylfuran-3-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone is Cc1occc1C(=O)N1CCCC1C1CCCN1.
What is the InChIKey of (2-methylfuran-3-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is DKJTWZGQJGVSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-11(6-9-18-10)14(17)16-8-3-5-13(16)12-4-2-7-15-12/h6,9,12-13,15H,2-5,7-8H2,1H3.
What are the key properties of (2-methylfuran-3-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone?
(2-methylfuran-3-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 248.33 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylfuran-3-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 62274234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).