4-[[(6-chloro-1,3-benzodioxol-5-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one

C19H25ClN2O3 — CID 50968396

IUPAC4-[[(6-chloro-1,3-benzodioxol-5-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one
SMILESCN(Cc1cc2c(cc1Cl)OCO2)CC1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C19H25ClN2O3/c1-21(11-14-7-17-18(8-16(14)20)25-12-24-17)9-13-6-19(23)22(10-13)15-4-2-3-5-15/h7-8,13,15H,2-6,9-12H2,1H3
InChIKeyJYRPGTSWSGEQBZ-UHFFFAOYSA-N
MW364.87 g/mol
LogP3.29
Rot. Bonds5

About 4-[[(6-chloro-1,3-benzodioxol-5-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one

4-[[(6-chloro-1,3-benzodioxol-5-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one (PubChem CID 50968396) has the molecular formula C19H25ClN2O3 and a molecular weight of 364.87 g/mol. Its IUPAC name is 4-[[(6-chloro-1,3-benzodioxol-5-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[[(6-chloro-1,3-benzodioxol-5-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one
PubChem CID50968396
Molecular FormulaC19H25ClN2O3
Molecular Weight364.87 g/mol
Exact Mass364.16
IUPAC Name4-[[(6-chloro-1,3-benzodioxol-5-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one
SMILESCN(Cc1cc2c(cc1Cl)OCO2)CC1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C19H25ClN2O3/c1-21(11-14-7-17-18(8-16(14)20)25-12-24-17)9-13-6-19(23)22(10-13)15-4-2-3-5-15/h7-8,13,15H,2-6,9-12H2,1H3
InChIKeyJYRPGTSWSGEQBZ-UHFFFAOYSA-N
XLogP3.29
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.87
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2-chloro-4-ethoxy-5-methoxyphenyl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one
CID 46993373
3-[[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl-methylamino]methyl]-1H-quinolin-2-one
CID 131927078
(4R)-4-[[(4-chloro-1-methylindazol-3-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one
CID 99927619
(4R)-1-cyclopentyl-4-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]pyrrolidin-2-one
CID 95121113
(4S)-1-cyclopentyl-4-[[(4,6-dimethylpyrimidin-2-yl)-methylamino]methyl]pyrrolidin-2-one
CID 95122565
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
1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2,4-dichlorophenyl)methyl]-1-methylurea
CID 131949003
1-cyclopentyl-4-[[methyl-[(E)-2-methylbut-2-enyl]amino]methyl]pyrrolidin-2-one
CID 50985024
1-cyclopentyl-4-[[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]methyl]pyrrolidin-2-one
CID 91839192
2-chloro-N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-fluoro-N,5-dimethylbenzenesulfonamide
CID 131924432
4-[[(6-aminopyrazin-2-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one
CID 146039012

Frequently Asked Questions

What is the IUPAC name of 4-[[(6-chloro-1,3-benzodioxol-5-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one?
The IUPAC name of 4-[[(6-chloro-1,3-benzodioxol-5-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one (CID 50968396) is 4-[[(6-chloro-1,3-benzodioxol-5-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one.
What is the SMILES notation for 4-[[(6-chloro-1,3-benzodioxol-5-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one?
The canonical SMILES for 4-[[(6-chloro-1,3-benzodioxol-5-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one is CN(Cc1cc2c(cc1Cl)OCO2)CC1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of 4-[[(6-chloro-1,3-benzodioxol-5-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one?
The InChIKey is JYRPGTSWSGEQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O3/c1-21(11-14-7-17-18(8-16(14)20)25-12-24-17)9-13-6-19(23)22(10-13)15-4-2-3-5-15/h7-8,13,15H,2-6,9-12H2,1H3.
What are the key properties of 4-[[(6-chloro-1,3-benzodioxol-5-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one?
4-[[(6-chloro-1,3-benzodioxol-5-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one has a molecular weight of 364.87 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-chloro-1,3-benzodioxol-5-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one is sourced from PubChem (CID 50968396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).