1-[3-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]propyl]pyrrolidin-2-one

C14H16Cl2N2O2 — CID 135595142

IUPAC1-[3-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCC/N=C/c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C14H16Cl2N2O2/c15-11-7-10(14(20)12(16)8-11)9-17-4-2-6-18-5-1-3-13(18)19/h7-9,20H,1-6H2/b17-9+
InChIKeyWDFIVVSXPIYNBA-RQZCQDPDSA-N
MW315.20 g/mol
LogP3.13
Rot. Bonds5

About 1-[3-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]propyl]pyrrolidin-2-one

1-[3-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]propyl]pyrrolidin-2-one (PubChem CID 135595142) has the molecular formula C14H16Cl2N2O2 and a molecular weight of 315.20 g/mol. Its IUPAC name is 1-[3-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]propyl]pyrrolidin-2-one
PubChem CID135595142
Molecular FormulaC14H16Cl2N2O2
Molecular Weight315.20 g/mol
Exact Mass314.06
IUPAC Name1-[3-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCC/N=C/c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C14H16Cl2N2O2/c15-11-7-10(14(20)12(16)8-11)9-17-4-2-6-18-5-1-3-13(18)19/h7-9,20H,1-6H2/b17-9+
InChIKeyWDFIVVSXPIYNBA-RQZCQDPDSA-N
XLogP3.13
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-6-[6-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]hexyliminomethyl]phenol
CID 3884626
4-chloro-2-nitro-6-[3-(2-oxoazepan-1-yl)propyliminomethyl]phenolate
CID 7610126
6-hydroxy-5-[3-(2-oxopyrrolidin-1-yl)propyliminomethyl]-1H-pyrimidine-2,4-dione
CID 2172238
1-[3-[(2,4-dichlorophenyl)methylamino]propyl]pyrrolidin-2-one;hydrochloride
CID 17211943
2-(2,5-dichlorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 8787363
1-[3-(4-chlorophenyl)propyl]pyrrolidin-2-one
CID 70380945
1-[2-(3,5-dichlorophenyl)ethyl]-3-ethyl-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine
CID 111148042
2,4-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 3729717
1-[3-[(3,5-dichloro-2-methoxyphenyl)methylamino]propyl]pyrrolidin-2-one
CID 17212153
N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(2-oxoazepan-1-yl)acetamide
CID 135725782
1-(22-hydroxydocosyl)pyrrolidin-2-one
CID 151557638
2,4-dichloro-6-[[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
CID 3279697

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]propyl]pyrrolidin-2-one (CID 135595142) is 1-[3-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]propyl]pyrrolidin-2-one is O=C1CCCN1CCC/N=C/c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 1-[3-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]propyl]pyrrolidin-2-one?
The InChIKey is WDFIVVSXPIYNBA-RQZCQDPDSA-N. The full InChI is InChI=1S/C14H16Cl2N2O2/c15-11-7-10(14(20)12(16)8-11)9-17-4-2-6-18-5-1-3-13(18)19/h7-9,20H,1-6H2/b17-9+.
What are the key properties of 1-[3-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]propyl]pyrrolidin-2-one?
1-[3-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]propyl]pyrrolidin-2-one has a molecular weight of 315.20 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 135595142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).