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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Related Compounds

1-[[4-(hydroxymethyl)phenyl]methyl]-4-propan-2-ylpyrrolidin-2-one
CID 104512318
N-[[5-[(3,4-dimethylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]ethanamine
CID 79184609
1-ethyl-4-propan-2-ylpyrrolidin-2-one
CID 122470396
1-[(4-chlorophenyl)methyl]-4-propan-2-ylpyrrolidin-2-one
CID 23588935
2-[(4S)-2-oxo-4-propan-2-ylpyrrolidin-1-yl]acetic acid
CID 97000523
1-[[6-(ethylamino)-2-pyridinyl]methyl]-4-propan-2-ylpyrrolidin-2-one
CID 104512703
N-[[5-(4-propan-2-ylpiperidin-1-yl)sulfonylfuran-2-yl]methyl]ethanamine
CID 103504076
1-[2-(ethylamino)propyl]-4-propan-2-ylpyrrolidin-2-one
CID 104511458
N-[[5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]furan-2-yl]methyl]ethanamine
CID 102743422
1-[(2-amino-5-nitrophenyl)methyl]-4-propan-2-ylpyrrolidin-2-one
CID 104512707
(E)-3-[2-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]prop-2-enoic acid
CID 104512561
5-[(2-oxo-5-propan-2-ylazepan-1-yl)methyl]furan-2-carbaldehyde
CID 113372368

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).