[(3R)-3-aminopyrrolidin-1-yl]-[2-(3-fluorophenyl)cyclopropyl]methanone;hydrochloride

C14H18ClFN2O — CID 119412312

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-[2-(3-fluorophenyl)cyclopropyl]methanone;hydrochloride
SMILESCl.N[C@@H]1CCN(C(=O)C2CC2c2cccc(F)c2)C1
InChIInChI=1S/C14H17FN2O.ClH/c15-10-3-1-2-9(6-10)12-7-13(12)14(18)17-5-4-11(16)8-17;/h1-3,6,11-13H,4-5,7-8,16H2;1H/t11-,12?,13?;/m1./s1
InChIKeyPZRSRLRFZMWQAN-PATAVHRISA-N
MW284.76 g/mol
LogP1.91
Rot. Bonds2

About [(3R)-3-aminopyrrolidin-1-yl]-[2-(3-fluorophenyl)cyclopropyl]methanone;hydrochloride

[(3R)-3-aminopyrrolidin-1-yl]-[2-(3-fluorophenyl)cyclopropyl]methanone;hydrochloride (PubChem CID 119412312) has the molecular formula C14H18ClFN2O and a molecular weight of 284.76 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-[2-(3-fluorophenyl)cyclopropyl]methanone;hydrochloride.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-[2-(3-fluorophenyl)cyclopropyl]methanone;hydrochloride
PubChem CID119412312
Molecular FormulaC14H18ClFN2O
Molecular Weight284.76 g/mol
Exact Mass284.11
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-[2-(3-fluorophenyl)cyclopropyl]methanone;hydrochloride
SMILESCl.N[C@@H]1CCN(C(=O)C2CC2c2cccc(F)c2)C1
InChIInChI=1S/C14H17FN2O.ClH/c15-10-3-1-2-9(6-10)12-7-13(12)14(18)17-5-4-11(16)8-17;/h1-3,6,11-13H,4-5,7-8,16H2;1H/t11-,12?,13?;/m1./s1
InChIKeyPZRSRLRFZMWQAN-PATAVHRISA-N
XLogP1.91
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.76
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[2-(3-fluorophenyl)cyclopropyl]methanone;hydrochloride?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[2-(3-fluorophenyl)cyclopropyl]methanone;hydrochloride (CID 119412312) is [(3R)-3-aminopyrrolidin-1-yl]-[2-(3-fluorophenyl)cyclopropyl]methanone;hydrochloride.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-[2-(3-fluorophenyl)cyclopropyl]methanone;hydrochloride?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-[2-(3-fluorophenyl)cyclopropyl]methanone;hydrochloride is Cl.N[C@@H]1CCN(C(=O)C2CC2c2cccc(F)c2)C1.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-[2-(3-fluorophenyl)cyclopropyl]methanone;hydrochloride?
The InChIKey is PZRSRLRFZMWQAN-PATAVHRISA-N. The full InChI is InChI=1S/C14H17FN2O.ClH/c15-10-3-1-2-9(6-10)12-7-13(12)14(18)17-5-4-11(16)8-17;/h1-3,6,11-13H,4-5,7-8,16H2;1H/t11-,12?,13?;/m1./s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-[2-(3-fluorophenyl)cyclopropyl]methanone;hydrochloride?
[(3R)-3-aminopyrrolidin-1-yl]-[2-(3-fluorophenyl)cyclopropyl]methanone;hydrochloride has a molecular weight of 284.76 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopyrrolidin-1-yl]-[2-(3-fluorophenyl)cyclopropyl]methanone;hydrochloride is sourced from PubChem (CID 119412312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).