(3-aminopyrrolidin-1-yl)-(1-benzofuran-2-yl)methanone;hydrochloride

C13H15ClN2O2 — CID 119482537

IUPAC(3-aminopyrrolidin-1-yl)-(1-benzofuran-2-yl)methanone;hydrochloride
SMILESCl.NC1CCN(C(=O)c2cc3ccccc3o2)C1
InChIInChI=1S/C13H14N2O2.ClH/c14-10-5-6-15(8-10)13(16)12-7-9-3-1-2-4-11(9)17-12;/h1-4,7,10H,5-6,8,14H2;1H
InChIKeyOFDQPULWZJCBBF-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.03
Rot. Bonds1

About (3-aminopyrrolidin-1-yl)-(1-benzofuran-2-yl)methanone;hydrochloride

(3-aminopyrrolidin-1-yl)-(1-benzofuran-2-yl)methanone;hydrochloride (PubChem CID 119482537) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-(1-benzofuran-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminopyrrolidin-1-yl)-(1-benzofuran-2-yl)methanone;hydrochloride
PubChem CID119482537
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name(3-aminopyrrolidin-1-yl)-(1-benzofuran-2-yl)methanone;hydrochloride
SMILESCl.NC1CCN(C(=O)c2cc3ccccc3o2)C1
InChIInChI=1S/C13H14N2O2.ClH/c14-10-5-6-15(8-10)13(16)12-7-9-3-1-2-4-11(9)17-12;/h1-4,7,10H,5-6,8,14H2;1H
InChIKeyOFDQPULWZJCBBF-UHFFFAOYSA-N
XLogP2.03
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminoazetidin-1-yl)-(1-benzofuran-2-yl)methanone
CID 63755277
[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzofuran-2-yl)methanone
CID 62063378
1-benzofuran-2-yl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63263992
1-benzofuran-2-yl-[4-(chloromethyl)piperidin-1-yl]methanone
CID 55188193
1-benzofuran-2-yl-(3-bromopiperidin-1-yl)methanone
CID 80660959
1-benzofuran-2-yl-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79403971
1-benzofuran-2-yl-(4-chloro-3-methylpiperidin-1-yl)methanone
CID 114683163
1-benzofuran-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248546
1-benzofuran-2-yl-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 56818112
2-[(3R)-3-aminopyrrolidine-1-carbonyl]-5-methylchromen-4-one
CID 138533301
1-benzofuran-2-yl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208517
1-benzofuran-2-yl-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone
CID 154576332

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-1-yl)-(1-benzofuran-2-yl)methanone;hydrochloride?
The IUPAC name of (3-aminopyrrolidin-1-yl)-(1-benzofuran-2-yl)methanone;hydrochloride (CID 119482537) is (3-aminopyrrolidin-1-yl)-(1-benzofuran-2-yl)methanone;hydrochloride.
What is the SMILES notation for (3-aminopyrrolidin-1-yl)-(1-benzofuran-2-yl)methanone;hydrochloride?
The canonical SMILES for (3-aminopyrrolidin-1-yl)-(1-benzofuran-2-yl)methanone;hydrochloride is Cl.NC1CCN(C(=O)c2cc3ccccc3o2)C1.
What is the InChIKey of (3-aminopyrrolidin-1-yl)-(1-benzofuran-2-yl)methanone;hydrochloride?
The InChIKey is OFDQPULWZJCBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2.ClH/c14-10-5-6-15(8-10)13(16)12-7-9-3-1-2-4-11(9)17-12;/h1-4,7,10H,5-6,8,14H2;1H.
What are the key properties of (3-aminopyrrolidin-1-yl)-(1-benzofuran-2-yl)methanone;hydrochloride?
(3-aminopyrrolidin-1-yl)-(1-benzofuran-2-yl)methanone;hydrochloride has a molecular weight of 266.73 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrrolidin-1-yl)-(1-benzofuran-2-yl)methanone;hydrochloride is sourced from PubChem (CID 119482537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).