2-methyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidine

C11H17NO — CID 130718603

IUPAC2-methyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidine
SMILESCc1ccc(CN2CCCC2C)o1
InChIInChI=1S/C11H17NO/c1-9-4-3-7-12(9)8-11-6-5-10(2)13-11/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyGGWQPHIYPPWQHJ-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.57
Rot. Bonds2

About 2-methyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidine

2-methyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidine (PubChem CID 130718603) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-methyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-methyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidine
PubChem CID130718603
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-methyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidine
SMILESCc1ccc(CN2CCCC2C)o1
InChIInChI=1S/C11H17NO/c1-9-4-3-7-12(9)8-11-6-5-10(2)13-11/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyGGWQPHIYPPWQHJ-UHFFFAOYSA-N
XLogP2.57
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[5-[(2-methylpyrrolidin-1-yl)methyl]furan-2-yl]methanol
CID 115882863
[1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]methanamine
CID 82505300
(2S)-2-methyl-1,4-bis[(5-methylfuran-2-yl)methyl]piperazine
CID 3246663
1-[1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 115883125
5-[[(2R)-2-methylpiperidin-1-yl]methyl]furan-2-carboxylic acid
CID 42233591
3-methyl-2-[(5-methylfuran-2-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926014
2-methyl-N-[[5-[(2-methylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 62440062
5-[(2-methylpiperidin-1-yl)methyl]furan-2-carboxylic acid;hydrochloride
CID 171134030
5-[(2-methylpyrrolidin-1-yl)methyl]-1,2-oxazole
CID 130739945
2-[1-[(5-methylfuran-2-yl)methyl]piperidin-2-yl]acetic acid
CID 54899724
N-[[5-[(2-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 55070016
1-[(5-methylfuran-2-yl)methyl]piperidin-3-ol
CID 62022683

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidine?
The IUPAC name of 2-methyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidine (CID 130718603) is 2-methyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidine.
What is the SMILES notation for 2-methyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidine?
The canonical SMILES for 2-methyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidine is Cc1ccc(CN2CCCC2C)o1.
What is the InChIKey of 2-methyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidine?
The InChIKey is GGWQPHIYPPWQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-9-4-3-7-12(9)8-11-6-5-10(2)13-11/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of 2-methyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidine?
2-methyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidine has a molecular weight of 179.26 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidine is sourced from PubChem (CID 130718603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).