[(3S)-3-aminopyrrolidin-1-yl]-(2-chlorophenyl)methanone;hydrochloride

C11H14Cl2N2O — CID 119934556

IUPAC[(3S)-3-aminopyrrolidin-1-yl]-(2-chlorophenyl)methanone;hydrochloride
SMILESCl.N[C@H]1CCN(C(=O)c2ccccc2Cl)C1
InChIInChI=1S/C11H13ClN2O.ClH/c12-10-4-2-1-3-9(10)11(15)14-6-5-8(13)7-14;/h1-4,8H,5-7,13H2;1H/t8-;/m0./s1
InChIKeyRIBRQDATUNZYLS-QRPNPIFTSA-N
MW261.15 g/mol
LogP1.93
Rot. Bonds1

About [(3S)-3-aminopyrrolidin-1-yl]-(2-chlorophenyl)methanone;hydrochloride

[(3S)-3-aminopyrrolidin-1-yl]-(2-chlorophenyl)methanone;hydrochloride (PubChem CID 119934556) has the molecular formula C11H14Cl2N2O and a molecular weight of 261.15 g/mol. Its IUPAC name is [(3S)-3-aminopyrrolidin-1-yl]-(2-chlorophenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[(3S)-3-aminopyrrolidin-1-yl]-(2-chlorophenyl)methanone;hydrochloride
PubChem CID119934556
Molecular FormulaC11H14Cl2N2O
Molecular Weight261.15 g/mol
Exact Mass260.05
IUPAC Name[(3S)-3-aminopyrrolidin-1-yl]-(2-chlorophenyl)methanone;hydrochloride
SMILESCl.N[C@H]1CCN(C(=O)c2ccccc2Cl)C1
InChIInChI=1S/C11H13ClN2O.ClH/c12-10-4-2-1-3-9(10)11(15)14-6-5-8(13)7-14;/h1-4,8H,5-7,13H2;1H/t8-;/m0./s1
InChIKeyRIBRQDATUNZYLS-QRPNPIFTSA-N
XLogP1.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-3-aminopyrrolidin-1-yl]-(2-chloro-3-pyridinyl)methanone;hydrochloride
CID 71643927
(3-aminopyrrolidin-1-yl)-(2-chloro-3-pyridinyl)methanone;hydrochloride
CID 71644269
(3-aminopyrrolidin-1-yl)-(4-bromo-2-chlorophenyl)methanone
CID 62068423
[(3R)-3-aminopyrrolidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119410283
[3-(chloromethyl)piperidin-1-yl]-(2-chlorophenyl)methanone
CID 63392881
(2-chlorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 110472965
[(3S)-3-aminopyrrolidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119934207
[(3R)-3-aminopyrrolidin-1-yl]-[1-tert-butyl-3-(2-chlorophenyl)pyrazol-4-yl]methanone;hydrochloride
CID 119409559
[(3S)-3-aminopyrrolidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone
CID 94339999
[(3S)-3-aminopiperidin-1-yl]-(2,6-dichlorophenyl)methanone;hydrochloride
CID 176515188
[(3R)-3-aminopyrrolidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone
CID 119412080
[(3S)-3-aminopyrrolidin-1-yl]-(3-bromo-2-methylphenyl)methanone;hydrochloride
CID 119934451

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-aminopyrrolidin-1-yl]-(2-chlorophenyl)methanone;hydrochloride?
The IUPAC name of [(3S)-3-aminopyrrolidin-1-yl]-(2-chlorophenyl)methanone;hydrochloride (CID 119934556) is [(3S)-3-aminopyrrolidin-1-yl]-(2-chlorophenyl)methanone;hydrochloride.
What is the SMILES notation for [(3S)-3-aminopyrrolidin-1-yl]-(2-chlorophenyl)methanone;hydrochloride?
The canonical SMILES for [(3S)-3-aminopyrrolidin-1-yl]-(2-chlorophenyl)methanone;hydrochloride is Cl.N[C@H]1CCN(C(=O)c2ccccc2Cl)C1.
What is the InChIKey of [(3S)-3-aminopyrrolidin-1-yl]-(2-chlorophenyl)methanone;hydrochloride?
The InChIKey is RIBRQDATUNZYLS-QRPNPIFTSA-N. The full InChI is InChI=1S/C11H13ClN2O.ClH/c12-10-4-2-1-3-9(10)11(15)14-6-5-8(13)7-14;/h1-4,8H,5-7,13H2;1H/t8-;/m0./s1.
What are the key properties of [(3S)-3-aminopyrrolidin-1-yl]-(2-chlorophenyl)methanone;hydrochloride?
[(3S)-3-aminopyrrolidin-1-yl]-(2-chlorophenyl)methanone;hydrochloride has a molecular weight of 261.15 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-aminopyrrolidin-1-yl]-(2-chlorophenyl)methanone;hydrochloride is sourced from PubChem (CID 119934556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).