4-amino-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one;dihydrochloride

C14H21Cl2N3O — CID 138958614

IUPAC4-amino-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one;dihydrochloride
SMILESCl.Cl.NC1CC(=O)N(c2ccc(N3CCCC3)cc2)C1
InChIInChI=1S/C14H19N3O.2ClH/c15-11-9-14(18)17(10-11)13-5-3-12(4-6-13)16-7-1-2-8-16;;/h3-6,11H,1-2,7-10,15H2;2*1H
InChIKeyWAHHTKOZQBCILA-UHFFFAOYSA-N
MW318.25 g/mol
LogP2.19
Rot. Bonds2

About 4-amino-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one;dihydrochloride

4-amino-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one;dihydrochloride (PubChem CID 138958614) has the molecular formula C14H21Cl2N3O and a molecular weight of 318.25 g/mol. Its IUPAC name is 4-amino-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one;dihydrochloride.

Molecular Properties

Compound Name4-amino-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one;dihydrochloride
PubChem CID138958614
Molecular FormulaC14H21Cl2N3O
Molecular Weight318.25 g/mol
Exact Mass317.11
IUPAC Name4-amino-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one;dihydrochloride
SMILESCl.Cl.NC1CC(=O)N(c2ccc(N3CCCC3)cc2)C1
InChIInChI=1S/C14H19N3O.2ClH/c15-11-9-14(18)17(10-11)13-5-3-12(4-6-13)16-7-1-2-8-16;;/h3-6,11H,1-2,7-10,15H2;2*1H
InChIKeyWAHHTKOZQBCILA-UHFFFAOYSA-N
XLogP2.19
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.25
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

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4-amino-1-(4-chlorophenyl)pyrrolidin-2-one;hydrochloride
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4-amino-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
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4-amino-1-(3,4-dimethylphenyl)pyrrolidin-2-one;hydrochloride
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CID 168701095
4-amino-1-(5-morpholin-4-yl-2-pyridinyl)pyrrolidin-2-one
CID 168700683
4-amino-1-(3,4-difluorophenyl)pyrrolidin-2-one
CID 43521146
4-amino-1-[4-(2-methylpropyl)phenyl]pyrrolidin-2-one
CID 82495819
4-amino-1-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-2-one
CID 168699360
N-[4-(4-amino-2-oxopyrrolidin-1-yl)phenyl]methanesulfonamide
CID 168699643
4-amino-1-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidin-2-one
CID 168700637

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one;dihydrochloride?
The IUPAC name of 4-amino-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one;dihydrochloride (CID 138958614) is 4-amino-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one;dihydrochloride.
What is the SMILES notation for 4-amino-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one;dihydrochloride?
The canonical SMILES for 4-amino-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one;dihydrochloride is Cl.Cl.NC1CC(=O)N(c2ccc(N3CCCC3)cc2)C1.
What is the InChIKey of 4-amino-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one;dihydrochloride?
The InChIKey is WAHHTKOZQBCILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O.2ClH/c15-11-9-14(18)17(10-11)13-5-3-12(4-6-13)16-7-1-2-8-16;;/h3-6,11H,1-2,7-10,15H2;2*1H.
What are the key properties of 4-amino-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one;dihydrochloride?
4-amino-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one;dihydrochloride has a molecular weight of 318.25 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one;dihydrochloride is sourced from PubChem (CID 138958614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).