4-(4-chlorophenyl)iminopyrrolidin-2-one

C10H9ClN2O — CID 57176213

IUPAC4-(4-chlorophenyl)iminopyrrolidin-2-one
SMILESO=C1C/C(=N/c2ccc(Cl)cc2)CN1
InChIInChI=1S/C10H9ClN2O/c11-7-1-3-8(4-2-7)13-9-5-10(14)12-6-9/h1-4H,5-6H2,(H,12,14)/b13-9-
InChIKeyHNGSUIZHFGTLCM-LCYFTJDESA-N
MW208.65 g/mol
LogP1.93
Rot. Bonds1

About 4-(4-chlorophenyl)iminopyrrolidin-2-one

4-(4-chlorophenyl)iminopyrrolidin-2-one (PubChem CID 57176213) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 4-(4-chlorophenyl)iminopyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)iminopyrrolidin-2-one
PubChem CID57176213
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name4-(4-chlorophenyl)iminopyrrolidin-2-one
SMILESO=C1C/C(=N/c2ccc(Cl)cc2)CN1
InChIInChI=1S/C10H9ClN2O/c11-7-1-3-8(4-2-7)13-9-5-10(14)12-6-9/h1-4H,5-6H2,(H,12,14)/b13-9-
InChIKeyHNGSUIZHFGTLCM-LCYFTJDESA-N
XLogP1.93
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)iminopyrrolidin-2-one?
The IUPAC name of 4-(4-chlorophenyl)iminopyrrolidin-2-one (CID 57176213) is 4-(4-chlorophenyl)iminopyrrolidin-2-one.
What is the SMILES notation for 4-(4-chlorophenyl)iminopyrrolidin-2-one?
The canonical SMILES for 4-(4-chlorophenyl)iminopyrrolidin-2-one is O=C1C/C(=N/c2ccc(Cl)cc2)CN1.
What is the InChIKey of 4-(4-chlorophenyl)iminopyrrolidin-2-one?
The InChIKey is HNGSUIZHFGTLCM-LCYFTJDESA-N. The full InChI is InChI=1S/C10H9ClN2O/c11-7-1-3-8(4-2-7)13-9-5-10(14)12-6-9/h1-4H,5-6H2,(H,12,14)/b13-9-.
What are the key properties of 4-(4-chlorophenyl)iminopyrrolidin-2-one?
4-(4-chlorophenyl)iminopyrrolidin-2-one has a molecular weight of 208.65 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 4-(4-chlorophenyl)iminopyrrolidin-2-one is sourced from PubChem (CID 57176213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).