3-(4-chlorophenyl)-1,2-dihydropyrrol-5-one

C10H8ClNO — CID 12934454

IUPAC3-(4-chlorophenyl)-1,2-dihydropyrrol-5-one
SMILESO=C1C=C(c2ccc(Cl)cc2)CN1
InChIInChI=1S/C10H8ClNO/c11-9-3-1-7(2-4-9)8-5-10(13)12-6-8/h1-5H,6H2,(H,12,13)
InChIKeyBKUCSIXWFMBBPC-UHFFFAOYSA-N
MW193.63 g/mol
LogP1.85
Rot. Bonds1

About 3-(4-chlorophenyl)-1,2-dihydropyrrol-5-one

3-(4-chlorophenyl)-1,2-dihydropyrrol-5-one (PubChem CID 12934454) has the molecular formula C10H8ClNO and a molecular weight of 193.63 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1,2-dihydropyrrol-5-one
PubChem CID12934454
Molecular FormulaC10H8ClNO
Molecular Weight193.63 g/mol
Exact Mass193.03
IUPAC Name3-(4-chlorophenyl)-1,2-dihydropyrrol-5-one
SMILESO=C1C=C(c2ccc(Cl)cc2)CN1
InChIInChI=1S/C10H8ClNO/c11-9-3-1-7(2-4-9)8-5-10(13)12-6-8/h1-5H,6H2,(H,12,13)
InChIKeyBKUCSIXWFMBBPC-UHFFFAOYSA-N
XLogP1.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.63
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-(4-chlorophenyl)-1,2-dihydropyrrol-5-one (CID 12934454) is 3-(4-chlorophenyl)-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-(4-chlorophenyl)-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-(4-chlorophenyl)-1,2-dihydropyrrol-5-one is O=C1C=C(c2ccc(Cl)cc2)CN1.
What is the InChIKey of 3-(4-chlorophenyl)-1,2-dihydropyrrol-5-one?
The InChIKey is BKUCSIXWFMBBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO/c11-9-3-1-7(2-4-9)8-5-10(13)12-6-8/h1-5H,6H2,(H,12,13).
What are the key properties of 3-(4-chlorophenyl)-1,2-dihydropyrrol-5-one?
3-(4-chlorophenyl)-1,2-dihydropyrrol-5-one has a molecular weight of 193.63 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 12934454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).