[(3R)-3-aminopyrrolidin-1-yl]-(5-ethyl-4-methylfuran-2-yl)methanone;hydrochloride

C12H19ClN2O2 — CID 119410829

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-(5-ethyl-4-methylfuran-2-yl)methanone;hydrochloride
SMILESCCc1oc(C(=O)N2CC[C@@H](N)C2)cc1C.Cl
InChIInChI=1S/C12H18N2O2.ClH/c1-3-10-8(2)6-11(16-10)12(15)14-5-4-9(13)7-14;/h6,9H,3-5,7,13H2,1-2H3;1H/t9-;/m1./s1
InChIKeyBXEXZABXCCRJQB-SBSPUUFOSA-N
MW258.75 g/mol
LogP1.75
Rot. Bonds2

About [(3R)-3-aminopyrrolidin-1-yl]-(5-ethyl-4-methylfuran-2-yl)methanone;hydrochloride

[(3R)-3-aminopyrrolidin-1-yl]-(5-ethyl-4-methylfuran-2-yl)methanone;hydrochloride (PubChem CID 119410829) has the molecular formula C12H19ClN2O2 and a molecular weight of 258.75 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-(5-ethyl-4-methylfuran-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-(5-ethyl-4-methylfuran-2-yl)methanone;hydrochloride
PubChem CID119410829
Molecular FormulaC12H19ClN2O2
Molecular Weight258.75 g/mol
Exact Mass258.11
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-(5-ethyl-4-methylfuran-2-yl)methanone;hydrochloride
SMILESCCc1oc(C(=O)N2CC[C@@H](N)C2)cc1C.Cl
InChIInChI=1S/C12H18N2O2.ClH/c1-3-10-8(2)6-11(16-10)12(15)14-5-4-9(13)7-14;/h6,9H,3-5,7,13H2,1-2H3;1H/t9-;/m1./s1
InChIKeyBXEXZABXCCRJQB-SBSPUUFOSA-N
XLogP1.75
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(5-ethyl-4-methylfuran-2-yl)methanone
CID 84588429
(3-aminopyrrolidin-1-yl)-(5-ethylfuran-2-yl)methanone
CID 79094746
(4-aminopiperidin-1-yl)-(5,6-dimethyl-1-benzofuran-2-yl)methanone;hydrochloride
CID 119373219
2-[(3R)-3-aminopyrrolidine-1-carbonyl]-5-methylchromen-4-one
CID 138533301
(3-aminopyrrolidin-1-yl)-(1-benzofuran-2-yl)methanone;hydrochloride
CID 119482537
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(5,6-dimethyl-1-benzofuran-2-yl)methanone
CID 124611196
[4-(5-ethyl-4-methylfuran-2-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 71967719
(3S,6R)-6-amino-1-[5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]azepane-3-carboxylic acid;dihydrochloride
CID 171339464
[4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-(5-ethyl-4-methylfuran-2-yl)methanone;hydrochloride
CID 128971315
(3S,4S)-1-(5-ethyl-4-methylfuran-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951060
(5,6-dimethyl-1-benzofuran-2-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124612576
(1-acetylpyrrolidin-3-yl) 5-ethyl-4-methylfuran-2-carboxylate
CID 75381047

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(5-ethyl-4-methylfuran-2-yl)methanone;hydrochloride?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(5-ethyl-4-methylfuran-2-yl)methanone;hydrochloride (CID 119410829) is [(3R)-3-aminopyrrolidin-1-yl]-(5-ethyl-4-methylfuran-2-yl)methanone;hydrochloride.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-(5-ethyl-4-methylfuran-2-yl)methanone;hydrochloride?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-(5-ethyl-4-methylfuran-2-yl)methanone;hydrochloride is CCc1oc(C(=O)N2CC[C@@H](N)C2)cc1C.Cl.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-(5-ethyl-4-methylfuran-2-yl)methanone;hydrochloride?
The InChIKey is BXEXZABXCCRJQB-SBSPUUFOSA-N. The full InChI is InChI=1S/C12H18N2O2.ClH/c1-3-10-8(2)6-11(16-10)12(15)14-5-4-9(13)7-14;/h6,9H,3-5,7,13H2,1-2H3;1H/t9-;/m1./s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-(5-ethyl-4-methylfuran-2-yl)methanone;hydrochloride?
[(3R)-3-aminopyrrolidin-1-yl]-(5-ethyl-4-methylfuran-2-yl)methanone;hydrochloride has a molecular weight of 258.75 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopyrrolidin-1-yl]-(5-ethyl-4-methylfuran-2-yl)methanone;hydrochloride is sourced from PubChem (CID 119410829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).