2-(5-methylfuran-2-yl)-1-propan-2-ylpyrrolidine

C12H19NO — CID 157179926

IUPAC2-(5-methylfuran-2-yl)-1-propan-2-ylpyrrolidine
SMILESCc1ccc(C2CCCN2C(C)C)o1
InChIInChI=1S/C12H19NO/c1-9(2)13-8-4-5-11(13)12-7-6-10(3)14-12/h6-7,9,11H,4-5,8H2,1-3H3
InChIKeyBJZUHJUBYJNGLX-UHFFFAOYSA-N
MW193.29 g/mol
LogP3.13
Rot. Bonds2

About 2-(5-methylfuran-2-yl)-1-propan-2-ylpyrrolidine

2-(5-methylfuran-2-yl)-1-propan-2-ylpyrrolidine (PubChem CID 157179926) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-1-propan-2-ylpyrrolidine
PubChem CID157179926
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-(5-methylfuran-2-yl)-1-propan-2-ylpyrrolidine
SMILESCc1ccc(C2CCCN2C(C)C)o1
InChIInChI=1S/C12H19NO/c1-9(2)13-8-4-5-11(13)12-7-6-10(3)14-12/h6-7,9,11H,4-5,8H2,1-3H3
InChIKeyBJZUHJUBYJNGLX-UHFFFAOYSA-N
XLogP3.13
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(furan-2-yl)-1-propan-2-ylpiperidine
CID 124500854
(2S)-2-(5-methylfuran-2-yl)-1-methylsulfonylpyrrolidine
CID 95770649
5-(5-methylfuran-2-yl)-1-propan-2-ylpyrrolidin-3-amine
CID 112546541
bis[2-(5-methylfuran-2-yl)pyrrolidin-1-yl] oxalate
CID 66856340
2-(4-cyclopropylphenyl)-1-propan-2-ylpyrrolidine
CID 167249235
(2S)-2-phenyl-1-propan-2-ylpiperidine
CID 140931618
[5-(1-propan-2-ylpiperidin-2-yl)-1,2-oxazol-3-yl]methanamine
CID 115094077
(2R)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine
CID 124501109
(2R)-1-[(2S)-3-cyclopentyloxy-2-methylpropyl]sulfonyl-2-(5-methylfuran-2-yl)pyrrolidine
CID 124888744
methyl (2S)-2-[(2R)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]propanoate
CID 124573623
2-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-6-pyrrolidin-1-ylpyridine
CID 102543010
1-propan-2-yl-2-(2-propan-2-ylphenyl)pyrrolidine
CID 167249257

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-1-propan-2-ylpyrrolidine?
The IUPAC name of 2-(5-methylfuran-2-yl)-1-propan-2-ylpyrrolidine (CID 157179926) is 2-(5-methylfuran-2-yl)-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-1-propan-2-ylpyrrolidine?
The canonical SMILES for 2-(5-methylfuran-2-yl)-1-propan-2-ylpyrrolidine is Cc1ccc(C2CCCN2C(C)C)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-1-propan-2-ylpyrrolidine?
The InChIKey is BJZUHJUBYJNGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-9(2)13-8-4-5-11(13)12-7-6-10(3)14-12/h6-7,9,11H,4-5,8H2,1-3H3.
What are the key properties of 2-(5-methylfuran-2-yl)-1-propan-2-ylpyrrolidine?
2-(5-methylfuran-2-yl)-1-propan-2-ylpyrrolidine has a molecular weight of 193.29 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 157179926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).