3-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]-1-methylpyrrolidin-2-one

C12H16N2O2 — CID 115866059

IUPAC3-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]-1-methylpyrrolidin-2-one
SMILESCN1CCC(NC/C=C/c2ccco2)C1=O
InChIInChI=1S/C12H16N2O2/c1-14-8-6-11(12(14)15)13-7-2-4-10-5-3-9-16-10/h2-5,9,11,13H,6-8H2,1H3/b4-2+
InChIKeyJDNXAZYNTKRJBD-DUXPYHPUSA-N
MW220.27 g/mol
LogP1.11
Rot. Bonds4

About 3-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]-1-methylpyrrolidin-2-one

3-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]-1-methylpyrrolidin-2-one (PubChem CID 115866059) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]-1-methylpyrrolidin-2-one
PubChem CID115866059
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name3-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]-1-methylpyrrolidin-2-one
SMILESCN1CCC(NC/C=C/c2ccco2)C1=O
InChIInChI=1S/C12H16N2O2/c1-14-8-6-11(12(14)15)13-7-2-4-10-5-3-9-16-10/h2-5,9,11,13H,6-8H2,1H3/b4-2+
InChIKeyJDNXAZYNTKRJBD-DUXPYHPUSA-N
XLogP1.11
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(E)-but-2-enyl]amino]-1-methylpyrrolidin-2-one
CID 106256623
N-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylcyclohexan-1-amine
CID 103868550
N-[(E)-3-(furan-2-yl)prop-2-enyl]cycloheptanamine
CID 115865874
3-(furan-2-yl)-N-methylprop-2-en-1-amine
CID 79347007
2-cyclopropyl-N-[(E)-3-(furan-2-yl)prop-2-enyl]propan-1-amine
CID 115865979
(E)-N-(cyclobutylmethyl)-3-(furan-2-yl)prop-2-en-1-amine
CID 115865985
butane;(E)-3-(furan-2-yl)-N-methylprop-2-en-1-amine
CID 142079105
N-[3-(furan-2-yl)prop-2-enyl]-2-methylpropan-2-amine
CID 79348296
(4R,5S)-5-(1,5-dimethylpyrazol-4-yl)-4-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]-1-methylpyrrolidin-2-one
CID 129005139
1-methyl-3-(1,2-oxazol-3-ylmethylamino)pyrrolidin-2-one
CID 79501211
2-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]benzoic acid
CID 106257588
4-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]benzoic acid
CID 106252963

Frequently Asked Questions

What is the IUPAC name of 3-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]-1-methylpyrrolidin-2-one (CID 115866059) is 3-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]-1-methylpyrrolidin-2-one is CN1CCC(NC/C=C/c2ccco2)C1=O.
What is the InChIKey of 3-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]-1-methylpyrrolidin-2-one?
The InChIKey is JDNXAZYNTKRJBD-DUXPYHPUSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-14-8-6-11(12(14)15)13-7-2-4-10-5-3-9-16-10/h2-5,9,11,13H,6-8H2,1H3/b4-2+.
What are the key properties of 3-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]-1-methylpyrrolidin-2-one?
3-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]-1-methylpyrrolidin-2-one has a molecular weight of 220.27 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 115866059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).