1-[3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-cyclobutylethanone

C15H22N2O2 — CID 156607312

IUPAC1-[3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-cyclobutylethanone
SMILESCc1ccc(C2CN(C(=O)CC3CCC3)CC2N)o1
InChIInChI=1S/C15H22N2O2/c1-10-5-6-14(19-10)12-8-17(9-13(12)16)15(18)7-11-3-2-4-11/h5-6,11-13H,2-4,7-9,16H2,1H3
InChIKeyIEQMFYQSAKXXAV-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.03
Rot. Bonds3

About 1-[3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-cyclobutylethanone

1-[3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-cyclobutylethanone (PubChem CID 156607312) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-cyclobutylethanone.

Molecular Properties

Compound Name1-[3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-cyclobutylethanone
PubChem CID156607312
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-cyclobutylethanone
SMILESCc1ccc(C2CN(C(=O)CC3CCC3)CC2N)o1
InChIInChI=1S/C15H22N2O2/c1-10-5-6-14(19-10)12-8-17(9-13(12)16)15(18)7-11-3-2-4-11/h5-6,11-13H,2-4,7-9,16H2,1H3
InChIKeyIEQMFYQSAKXXAV-UHFFFAOYSA-N
XLogP2.03
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 72912508
2-[3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 156603923
2-[(3S,4R)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone
CID 133138089
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-(3-methylcyclohexyl)ethanone;hydrochloride
CID 120750129
1-(3-amino-4-methylpyrrolidin-1-yl)-2-cyclohexylethanone
CID 103576127
(3S,4R)-1-methyl-4-(5-methylfuran-2-yl)pyrrolidin-3-amine
CID 99957203
1-[(3S,4R)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-[4-(tetrazol-1-yl)phenoxy]ethanone
CID 133131471
1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-cyclobutylethanone;hydrochloride
CID 120742586
[3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 156604168
2-(3-aminocyclohexyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 62776851
[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 72934559
2-cyclopentyl-1-[(3S,4R)-3-(4-fluorophenyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 92991702

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-cyclobutylethanone?
The IUPAC name of 1-[3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-cyclobutylethanone (CID 156607312) is 1-[3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-cyclobutylethanone.
What is the SMILES notation for 1-[3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-cyclobutylethanone?
The canonical SMILES for 1-[3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-cyclobutylethanone is Cc1ccc(C2CN(C(=O)CC3CCC3)CC2N)o1.
What is the InChIKey of 1-[3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-cyclobutylethanone?
The InChIKey is IEQMFYQSAKXXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-5-6-14(19-10)12-8-17(9-13(12)16)15(18)7-11-3-2-4-11/h5-6,11-13H,2-4,7-9,16H2,1H3.
What are the key properties of 1-[3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-cyclobutylethanone?
1-[3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-cyclobutylethanone has a molecular weight of 262.35 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-cyclobutylethanone is sourced from PubChem (CID 156607312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).