3,4-dibromo-1-(cyclopropylmethyl)-2H-pyrrol-5-one

C8H9Br2NO — CID 99983137

IUPAC3,4-dibromo-1-(cyclopropylmethyl)-2H-pyrrol-5-one
SMILESO=C1C(Br)=C(Br)CN1CC1CC1
InChIInChI=1S/C8H9Br2NO/c9-6-4-11(3-5-1-2-5)8(12)7(6)10/h5H,1-4H2
InChIKeyPJCSVELBWOSGLX-UHFFFAOYSA-N
MW294.97 g/mol
LogP2.24
Rot. Bonds2

About 3,4-dibromo-1-(cyclopropylmethyl)-2H-pyrrol-5-one

3,4-dibromo-1-(cyclopropylmethyl)-2H-pyrrol-5-one (PubChem CID 99983137) has the molecular formula C8H9Br2NO and a molecular weight of 294.97 g/mol. Its IUPAC name is 3,4-dibromo-1-(cyclopropylmethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3,4-dibromo-1-(cyclopropylmethyl)-2H-pyrrol-5-one
PubChem CID99983137
Molecular FormulaC8H9Br2NO
Molecular Weight294.97 g/mol
Exact Mass292.91
IUPAC Name3,4-dibromo-1-(cyclopropylmethyl)-2H-pyrrol-5-one
SMILESO=C1C(Br)=C(Br)CN1CC1CC1
InChIInChI=1S/C8H9Br2NO/c9-6-4-11(3-5-1-2-5)8(12)7(6)10/h5H,1-4H2
InChIKeyPJCSVELBWOSGLX-UHFFFAOYSA-N
XLogP2.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.97
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dibromo-1-(cyclopropylmethyl)-2H-pyrrol-5-one?
The IUPAC name of 3,4-dibromo-1-(cyclopropylmethyl)-2H-pyrrol-5-one (CID 99983137) is 3,4-dibromo-1-(cyclopropylmethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3,4-dibromo-1-(cyclopropylmethyl)-2H-pyrrol-5-one?
The canonical SMILES for 3,4-dibromo-1-(cyclopropylmethyl)-2H-pyrrol-5-one is O=C1C(Br)=C(Br)CN1CC1CC1.
What is the InChIKey of 3,4-dibromo-1-(cyclopropylmethyl)-2H-pyrrol-5-one?
The InChIKey is PJCSVELBWOSGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Br2NO/c9-6-4-11(3-5-1-2-5)8(12)7(6)10/h5H,1-4H2.
What are the key properties of 3,4-dibromo-1-(cyclopropylmethyl)-2H-pyrrol-5-one?
3,4-dibromo-1-(cyclopropylmethyl)-2H-pyrrol-5-one has a molecular weight of 294.97 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromo-1-(cyclopropylmethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 99983137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).