(4R)-1-cyclopentyl-4-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]pyrrolidin-2-one

C15H24N4O — CID 95121113

IUPAC(4R)-1-cyclopentyl-4-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]pyrrolidin-2-one
SMILESCN(Cc1ncc[nH]1)C[C@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C15H24N4O/c1-18(11-14-16-6-7-17-14)9-12-8-15(20)19(10-12)13-4-2-3-5-13/h6-7,12-13H,2-5,8-11H2,1H3,(H,16,17)/t12-/m1/s1
InChIKeyXZQCRMGXOIHMJY-GFCCVEGCSA-N
MW276.38 g/mol
LogP1.63
Rot. Bonds5

About (4R)-1-cyclopentyl-4-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]pyrrolidin-2-one

(4R)-1-cyclopentyl-4-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]pyrrolidin-2-one (PubChem CID 95121113) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is (4R)-1-cyclopentyl-4-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-cyclopentyl-4-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]pyrrolidin-2-one
PubChem CID95121113
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name(4R)-1-cyclopentyl-4-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]pyrrolidin-2-one
SMILESCN(Cc1ncc[nH]1)C[C@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C15H24N4O/c1-18(11-14-16-6-7-17-14)9-12-8-15(20)19(10-12)13-4-2-3-5-13/h6-7,12-13H,2-5,8-11H2,1H3,(H,16,17)/t12-/m1/s1
InChIKeyXZQCRMGXOIHMJY-GFCCVEGCSA-N
XLogP1.63
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-cyclopentyl-4-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-cyclopentyl-4-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]pyrrolidin-2-one (CID 95121113) is (4R)-1-cyclopentyl-4-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-cyclopentyl-4-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-cyclopentyl-4-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]pyrrolidin-2-one is CN(Cc1ncc[nH]1)C[C@H]1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of (4R)-1-cyclopentyl-4-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]pyrrolidin-2-one?
The InChIKey is XZQCRMGXOIHMJY-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H24N4O/c1-18(11-14-16-6-7-17-14)9-12-8-15(20)19(10-12)13-4-2-3-5-13/h6-7,12-13H,2-5,8-11H2,1H3,(H,16,17)/t12-/m1/s1.
What are the key properties of (4R)-1-cyclopentyl-4-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]pyrrolidin-2-one?
(4R)-1-cyclopentyl-4-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]pyrrolidin-2-one has a molecular weight of 276.38 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-cyclopentyl-4-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 95121113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).