1-[[5-(ethylaminomethyl)furan-2-yl]methyl]-4-propan-2-ylpyrrolidin-2-one

C15H24N2O2 — CID 104511464

IUPAC1-[[5-(ethylaminomethyl)furan-2-yl]methyl]-4-propan-2-ylpyrrolidin-2-one
SMILESCCNCc1ccc(CN2CC(C(C)C)CC2=O)o1
InChIInChI=1S/C15H24N2O2/c1-4-16-8-13-5-6-14(19-13)10-17-9-12(11(2)3)7-15(17)18/h5-6,11-12,16H,4,7-10H2,1-3H3
InChIKeyNFXFEMIKPCHPGQ-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.39
Rot. Bonds6

About 1-[[5-(ethylaminomethyl)furan-2-yl]methyl]-4-propan-2-ylpyrrolidin-2-one

1-[[5-(ethylaminomethyl)furan-2-yl]methyl]-4-propan-2-ylpyrrolidin-2-one (PubChem CID 104511464) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[[5-(ethylaminomethyl)furan-2-yl]methyl]-4-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[[5-(ethylaminomethyl)furan-2-yl]methyl]-4-propan-2-ylpyrrolidin-2-one
PubChem CID104511464
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-[[5-(ethylaminomethyl)furan-2-yl]methyl]-4-propan-2-ylpyrrolidin-2-one
SMILESCCNCc1ccc(CN2CC(C(C)C)CC2=O)o1
InChIInChI=1S/C15H24N2O2/c1-4-16-8-13-5-6-14(19-13)10-17-9-12(11(2)3)7-15(17)18/h5-6,11-12,16H,4,7-10H2,1-3H3
InChIKeyNFXFEMIKPCHPGQ-UHFFFAOYSA-N
XLogP2.39
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(ethylaminomethyl)furan-2-yl]methyl]-4-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 1-[[5-(ethylaminomethyl)furan-2-yl]methyl]-4-propan-2-ylpyrrolidin-2-one (CID 104511464) is 1-[[5-(ethylaminomethyl)furan-2-yl]methyl]-4-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 1-[[5-(ethylaminomethyl)furan-2-yl]methyl]-4-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 1-[[5-(ethylaminomethyl)furan-2-yl]methyl]-4-propan-2-ylpyrrolidin-2-one is CCNCc1ccc(CN2CC(C(C)C)CC2=O)o1.
What is the InChIKey of 1-[[5-(ethylaminomethyl)furan-2-yl]methyl]-4-propan-2-ylpyrrolidin-2-one?
The InChIKey is NFXFEMIKPCHPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-16-8-13-5-6-14(19-13)10-17-9-12(11(2)3)7-15(17)18/h5-6,11-12,16H,4,7-10H2,1-3H3.
What are the key properties of 1-[[5-(ethylaminomethyl)furan-2-yl]methyl]-4-propan-2-ylpyrrolidin-2-one?
1-[[5-(ethylaminomethyl)furan-2-yl]methyl]-4-propan-2-ylpyrrolidin-2-one has a molecular weight of 264.37 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(ethylaminomethyl)furan-2-yl]methyl]-4-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 104511464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).