1-[(5-bromofuran-3-yl)methyl]-3,4-dimethylpyrrolidin-2-one

C11H14BrNO2 — CID 130854790

IUPAC1-[(5-bromofuran-3-yl)methyl]-3,4-dimethylpyrrolidin-2-one
SMILESCC1CN(Cc2coc(Br)c2)C(=O)C1C
InChIInChI=1S/C11H14BrNO2/c1-7-4-13(11(14)8(7)2)5-9-3-10(12)15-6-9/h3,6-8H,4-5H2,1-2H3
InChIKeyDZYXRNXFJFTHKE-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.66
Rot. Bonds2

About 1-[(5-bromofuran-3-yl)methyl]-3,4-dimethylpyrrolidin-2-one

1-[(5-bromofuran-3-yl)methyl]-3,4-dimethylpyrrolidin-2-one (PubChem CID 130854790) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 1-[(5-bromofuran-3-yl)methyl]-3,4-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[(5-bromofuran-3-yl)methyl]-3,4-dimethylpyrrolidin-2-one
PubChem CID130854790
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name1-[(5-bromofuran-3-yl)methyl]-3,4-dimethylpyrrolidin-2-one
SMILESCC1CN(Cc2coc(Br)c2)C(=O)C1C
InChIInChI=1S/C11H14BrNO2/c1-7-4-13(11(14)8(7)2)5-9-3-10(12)15-6-9/h3,6-8H,4-5H2,1-2H3
InChIKeyDZYXRNXFJFTHKE-UHFFFAOYSA-N
XLogP2.66
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromofuran-3-yl)methyl]-3,4-dimethylpyrrolidin-2-one?
The IUPAC name of 1-[(5-bromofuran-3-yl)methyl]-3,4-dimethylpyrrolidin-2-one (CID 130854790) is 1-[(5-bromofuran-3-yl)methyl]-3,4-dimethylpyrrolidin-2-one.
What is the SMILES notation for 1-[(5-bromofuran-3-yl)methyl]-3,4-dimethylpyrrolidin-2-one?
The canonical SMILES for 1-[(5-bromofuran-3-yl)methyl]-3,4-dimethylpyrrolidin-2-one is CC1CN(Cc2coc(Br)c2)C(=O)C1C.
What is the InChIKey of 1-[(5-bromofuran-3-yl)methyl]-3,4-dimethylpyrrolidin-2-one?
The InChIKey is DZYXRNXFJFTHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-7-4-13(11(14)8(7)2)5-9-3-10(12)15-6-9/h3,6-8H,4-5H2,1-2H3.
What are the key properties of 1-[(5-bromofuran-3-yl)methyl]-3,4-dimethylpyrrolidin-2-one?
1-[(5-bromofuran-3-yl)methyl]-3,4-dimethylpyrrolidin-2-one has a molecular weight of 272.14 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromofuran-3-yl)methyl]-3,4-dimethylpyrrolidin-2-one is sourced from PubChem (CID 130854790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).