[(3S)-1-[(3-chlorophenyl)methyl]-2-oxopyrrolidin-3-yl]azanium chloride

C11H14Cl2N2O — CID 10934236

IUPAC[(3S)-1-[(3-chlorophenyl)methyl]-2-oxopyrrolidin-3-yl]azanium chloride
SMILES[Cl-].[NH3+][C@H]1CCN(Cc2cccc(Cl)c2)C1=O
InChIInChI=1S/C11H13ClN2O.ClH/c12-9-3-1-2-8(6-9)7-14-5-4-10(13)11(14)15;/h1-3,6,10H,4-5,7,13H2;1H/t10-;/m0./s1
InChIKeyZBOBEDRZCOYYAL-PPHPATTJSA-N
MW261.15 g/mol
LogP-2.31
Rot. Bonds2

About [(3S)-1-[(3-chlorophenyl)methyl]-2-oxopyrrolidin-3-yl]azanium chloride

[(3S)-1-[(3-chlorophenyl)methyl]-2-oxopyrrolidin-3-yl]azanium chloride (PubChem CID 10934236) has the molecular formula C11H14Cl2N2O and a molecular weight of 261.15 g/mol. Its IUPAC name is [(3S)-1-[(3-chlorophenyl)methyl]-2-oxopyrrolidin-3-yl]azanium chloride.

Molecular Properties

Compound Name[(3S)-1-[(3-chlorophenyl)methyl]-2-oxopyrrolidin-3-yl]azanium chloride
PubChem CID10934236
Molecular FormulaC11H14Cl2N2O
Molecular Weight261.15 g/mol
Exact Mass260.05
IUPAC Name[(3S)-1-[(3-chlorophenyl)methyl]-2-oxopyrrolidin-3-yl]azanium chloride
SMILES[Cl-].[NH3+][C@H]1CCN(Cc2cccc(Cl)c2)C1=O
InChIInChI=1S/C11H13ClN2O.ClH/c12-9-3-1-2-8(6-9)7-14-5-4-10(13)11(14)15;/h1-3,6,10H,4-5,7,13H2;1H/t10-;/m0./s1
InChIKeyZBOBEDRZCOYYAL-PPHPATTJSA-N
XLogP-2.31
TPSA47.95 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 5-2.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3-chlorophenyl)methyl]pyrrolidine
CID 12738005
4-(chloromethyl)-1-[(3-chlorophenyl)methyl]piperidine
CID 63387553
[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methanol
CID 47035134
4-[[4-[(3-chlorophenyl)methyl]-2,3-dioxopiperazin-1-yl]methyl]benzoic acid
CID 53214174
3-chloro-4-(1-chlorobutyl)-1-[(3-chlorophenyl)methyl]pyrrolidin-2-one
CID 19898311
2-[4-[(3-chlorophenyl)methyl]-3-oxopiperazin-1-yl]acetic acid
CID 119163573
1-[(3-chlorophenyl)methyl]piperidin-4-amine
CID 12641838
3-[(3-chlorophenyl)methyl]-5-methyl-2-sulfanylideneimidazolidin-4-one
CID 17394339
4-benzyl-1-[(3-chlorophenyl)methyl]piperidine
CID 785748
4-(2-amino-2-methylpropyl)-1-[(3-chlorophenyl)methyl]piperazin-2-one
CID 120853340
(3S,8aR)-2-[(3-chlorophenyl)methyl]-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 165418821
(3R)-3-amino-1-benzylpyrrolidin-2-one
CID 11128028

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[(3-chlorophenyl)methyl]-2-oxopyrrolidin-3-yl]azanium chloride?
The IUPAC name of [(3S)-1-[(3-chlorophenyl)methyl]-2-oxopyrrolidin-3-yl]azanium chloride (CID 10934236) is [(3S)-1-[(3-chlorophenyl)methyl]-2-oxopyrrolidin-3-yl]azanium chloride.
What is the SMILES notation for [(3S)-1-[(3-chlorophenyl)methyl]-2-oxopyrrolidin-3-yl]azanium chloride?
The canonical SMILES for [(3S)-1-[(3-chlorophenyl)methyl]-2-oxopyrrolidin-3-yl]azanium chloride is [Cl-].[NH3+][C@H]1CCN(Cc2cccc(Cl)c2)C1=O.
What is the InChIKey of [(3S)-1-[(3-chlorophenyl)methyl]-2-oxopyrrolidin-3-yl]azanium chloride?
The InChIKey is ZBOBEDRZCOYYAL-PPHPATTJSA-N. The full InChI is InChI=1S/C11H13ClN2O.ClH/c12-9-3-1-2-8(6-9)7-14-5-4-10(13)11(14)15;/h1-3,6,10H,4-5,7,13H2;1H/t10-;/m0./s1.
What are the key properties of [(3S)-1-[(3-chlorophenyl)methyl]-2-oxopyrrolidin-3-yl]azanium chloride?
[(3S)-1-[(3-chlorophenyl)methyl]-2-oxopyrrolidin-3-yl]azanium chloride has a molecular weight of 261.15 g/mol, XLogP of -2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[(3-chlorophenyl)methyl]-2-oxopyrrolidin-3-yl]azanium chloride is sourced from PubChem (CID 10934236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).