1-[4-chloro-5-(1-methylpyrrolidin-3-yl)furan-2-yl]ethanone

C11H14ClNO2 — CID 84691496

IUPAC1-[4-chloro-5-(1-methylpyrrolidin-3-yl)furan-2-yl]ethanone
SMILESCC(=O)c1cc(Cl)c(C2CCN(C)C2)o1
InChIInChI=1S/C11H14ClNO2/c1-7(14)10-5-9(12)11(15-10)8-3-4-13(2)6-8/h5,8H,3-4,6H2,1-2H3
InChIKeyOALAWCCNGVCIJR-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.55
Rot. Bonds2

About 1-[4-chloro-5-(1-methylpyrrolidin-3-yl)furan-2-yl]ethanone

1-[4-chloro-5-(1-methylpyrrolidin-3-yl)furan-2-yl]ethanone (PubChem CID 84691496) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 1-[4-chloro-5-(1-methylpyrrolidin-3-yl)furan-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-chloro-5-(1-methylpyrrolidin-3-yl)furan-2-yl]ethanone
PubChem CID84691496
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name1-[4-chloro-5-(1-methylpyrrolidin-3-yl)furan-2-yl]ethanone
SMILESCC(=O)c1cc(Cl)c(C2CCN(C)C2)o1
InChIInChI=1S/C11H14ClNO2/c1-7(14)10-5-9(12)11(15-10)8-3-4-13(2)6-8/h5,8H,3-4,6H2,1-2H3
InChIKeyOALAWCCNGVCIJR-UHFFFAOYSA-N
XLogP2.55
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-5-(1-methylpyrrolidin-3-yl)furan-2-yl]ethanone?
The IUPAC name of 1-[4-chloro-5-(1-methylpyrrolidin-3-yl)furan-2-yl]ethanone (CID 84691496) is 1-[4-chloro-5-(1-methylpyrrolidin-3-yl)furan-2-yl]ethanone.
What is the SMILES notation for 1-[4-chloro-5-(1-methylpyrrolidin-3-yl)furan-2-yl]ethanone?
The canonical SMILES for 1-[4-chloro-5-(1-methylpyrrolidin-3-yl)furan-2-yl]ethanone is CC(=O)c1cc(Cl)c(C2CCN(C)C2)o1.
What is the InChIKey of 1-[4-chloro-5-(1-methylpyrrolidin-3-yl)furan-2-yl]ethanone?
The InChIKey is OALAWCCNGVCIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-7(14)10-5-9(12)11(15-10)8-3-4-13(2)6-8/h5,8H,3-4,6H2,1-2H3.
What are the key properties of 1-[4-chloro-5-(1-methylpyrrolidin-3-yl)furan-2-yl]ethanone?
1-[4-chloro-5-(1-methylpyrrolidin-3-yl)furan-2-yl]ethanone has a molecular weight of 227.69 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-5-(1-methylpyrrolidin-3-yl)furan-2-yl]ethanone is sourced from PubChem (CID 84691496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).