1-cyclopentyl-4-[[methyl-[(E)-2-methylbut-2-enyl]amino]methyl]pyrrolidin-2-one

C16H28N2O — CID 50985024

IUPAC1-cyclopentyl-4-[[methyl-[(E)-2-methylbut-2-enyl]amino]methyl]pyrrolidin-2-one
SMILESC/C=C(\C)CN(C)CC1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C16H28N2O/c1-4-13(2)10-17(3)11-14-9-16(19)18(12-14)15-7-5-6-8-15/h4,14-15H,5-12H2,1-3H3/b13-4+
InChIKeyFPCLNJWFVYDYSQ-YIXHJXPBSA-N
MW264.41 g/mol
LogP2.68
Rot. Bonds5

About 1-cyclopentyl-4-[[methyl-[(E)-2-methylbut-2-enyl]amino]methyl]pyrrolidin-2-one

1-cyclopentyl-4-[[methyl-[(E)-2-methylbut-2-enyl]amino]methyl]pyrrolidin-2-one (PubChem CID 50985024) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-cyclopentyl-4-[[methyl-[(E)-2-methylbut-2-enyl]amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-4-[[methyl-[(E)-2-methylbut-2-enyl]amino]methyl]pyrrolidin-2-one
PubChem CID50985024
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-cyclopentyl-4-[[methyl-[(E)-2-methylbut-2-enyl]amino]methyl]pyrrolidin-2-one
SMILESC/C=C(\C)CN(C)CC1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C16H28N2O/c1-4-13(2)10-17(3)11-14-9-16(19)18(12-14)15-7-5-6-8-15/h4,14-15H,5-12H2,1-3H3/b13-4+
InChIKeyFPCLNJWFVYDYSQ-YIXHJXPBSA-N
XLogP2.68
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4R)-1-cyclopentyl-4-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]pyrrolidin-2-one
CID 95121113
(4R)-1-cyclohexyl-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259368
1-cyclopentyl-4-[[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]methyl]pyrrolidin-2-one
CID 91839192
1-cyclopentyl-4-[[methyl-[(2-propan-2-ylpyrimidin-5-yl)methyl]amino]methyl]pyrrolidin-2-one
CID 74233085
(4S)-4-[[(3-cyclohexylimidazol-4-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one
CID 124849465
(4S)-1-cyclopentyl-4-[[(4,6-dimethylpyrimidin-2-yl)-methylamino]methyl]pyrrolidin-2-one
CID 95122565
1-cyclopentyl-4-[[methyl-(4,5,6-trimethylpyrimidin-2-yl)amino]methyl]pyrrolidin-2-one
CID 163314892
4-[[(6-chloro-1,3-benzodioxol-5-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one
CID 50968396
(4R)-1-cyclopentyl-4-(methylaminomethyl)pyrrolidin-2-one
CID 26722502
2-butoxy-N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-N-methylacetamide
CID 131947635
4-[[(5-amino-1,3,4-thiadiazol-2-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one
CID 154564572
1-cyclohexyl-4-(methylaminomethyl)pyrrolidin-2-one
CID 83533637

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[[methyl-[(E)-2-methylbut-2-enyl]amino]methyl]pyrrolidin-2-one?
The IUPAC name of 1-cyclopentyl-4-[[methyl-[(E)-2-methylbut-2-enyl]amino]methyl]pyrrolidin-2-one (CID 50985024) is 1-cyclopentyl-4-[[methyl-[(E)-2-methylbut-2-enyl]amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-cyclopentyl-4-[[methyl-[(E)-2-methylbut-2-enyl]amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-cyclopentyl-4-[[methyl-[(E)-2-methylbut-2-enyl]amino]methyl]pyrrolidin-2-one is C/C=C(\C)CN(C)CC1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of 1-cyclopentyl-4-[[methyl-[(E)-2-methylbut-2-enyl]amino]methyl]pyrrolidin-2-one?
The InChIKey is FPCLNJWFVYDYSQ-YIXHJXPBSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-13(2)10-17(3)11-14-9-16(19)18(12-14)15-7-5-6-8-15/h4,14-15H,5-12H2,1-3H3/b13-4+.
What are the key properties of 1-cyclopentyl-4-[[methyl-[(E)-2-methylbut-2-enyl]amino]methyl]pyrrolidin-2-one?
1-cyclopentyl-4-[[methyl-[(E)-2-methylbut-2-enyl]amino]methyl]pyrrolidin-2-one has a molecular weight of 264.41 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[[methyl-[(E)-2-methylbut-2-enyl]amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 50985024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).