1-[1-(3-methylfuran-2-yl)ethyl]pyrrolidine

C11H17NO — CID 14120069

IUPAC1-[1-(3-methylfuran-2-yl)ethyl]pyrrolidine
SMILESCc1ccoc1C(C)N1CCCC1
InChIInChI=1S/C11H17NO/c1-9-5-8-13-11(9)10(2)12-6-3-4-7-12/h5,8,10H,3-4,6-7H2,1-2H3
InChIKeyGLHATADPFUXRQI-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.74
Rot. Bonds2

About 1-[1-(3-methylfuran-2-yl)ethyl]pyrrolidine

1-[1-(3-methylfuran-2-yl)ethyl]pyrrolidine (PubChem CID 14120069) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-[1-(3-methylfuran-2-yl)ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[1-(3-methylfuran-2-yl)ethyl]pyrrolidine
PubChem CID14120069
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-[1-(3-methylfuran-2-yl)ethyl]pyrrolidine
SMILESCc1ccoc1C(C)N1CCCC1
InChIInChI=1S/C11H17NO/c1-9-5-8-13-11(9)10(2)12-6-3-4-7-12/h5,8,10H,3-4,6-7H2,1-2H3
InChIKeyGLHATADPFUXRQI-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 26762
2-Furanmethanaminium, N,N,N-trimethyl-, iodide (1:1)
CID 10937
2-(5-Methyl-2-furanyl)pyrrolidine
CID 4715419
N,N,N-Trimethyl-2-furanmethanaminium
CID 10938
Furfurylamine, alpha-benzyl-N-ethyl-
CID 52652
Furfurylamphetamine
CID 18116
2-(Furan-2-yl)pyrrolidine
CID 3675988
1-[(5-Methyl-2-furanyl)methyl]pyrrolidine
CID 529066
1-Furfurylpyrrolidine
CID 3768984
N,N-bis[(5-methylfuran-2-yl)methyl]propan-1-amine
CID 5217129
Benzyl(furan-2-ylmethyl)amine
CID 39338
N-(furan-2-ylmethyl)-N,2,2-trimethylbutanamide
CID 121446739

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methylfuran-2-yl)ethyl]pyrrolidine?
The IUPAC name of 1-[1-(3-methylfuran-2-yl)ethyl]pyrrolidine (CID 14120069) is 1-[1-(3-methylfuran-2-yl)ethyl]pyrrolidine.
What is the SMILES notation for 1-[1-(3-methylfuran-2-yl)ethyl]pyrrolidine?
The canonical SMILES for 1-[1-(3-methylfuran-2-yl)ethyl]pyrrolidine is Cc1ccoc1C(C)N1CCCC1.
What is the InChIKey of 1-[1-(3-methylfuran-2-yl)ethyl]pyrrolidine?
The InChIKey is GLHATADPFUXRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-9-5-8-13-11(9)10(2)12-6-3-4-7-12/h5,8,10H,3-4,6-7H2,1-2H3.
What are the key properties of 1-[1-(3-methylfuran-2-yl)ethyl]pyrrolidine?
1-[1-(3-methylfuran-2-yl)ethyl]pyrrolidine has a molecular weight of 179.26 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methylfuran-2-yl)ethyl]pyrrolidine is sourced from PubChem (CID 14120069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).