(4R)-4-ethyl-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-one

C11H17N3O — CID 54202652

IUPAC(4R)-4-ethyl-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-one
SMILESCC[C@@H]1CC(=O)N(Cc2cncn2C)C1
InChIInChI=1S/C11H17N3O/c1-3-9-4-11(15)14(6-9)7-10-5-12-8-13(10)2/h5,8-9H,3-4,6-7H2,1-2H3/t9-/m1/s1
InChIKeyPQIOWQRFPPDREF-SECBINFHSA-N
MW207.28 g/mol
LogP1.18
Rot. Bonds3

About (4R)-4-ethyl-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-one

(4R)-4-ethyl-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-one (PubChem CID 54202652) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (4R)-4-ethyl-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-ethyl-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-one
PubChem CID54202652
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(4R)-4-ethyl-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-one
SMILESCC[C@@H]1CC(=O)N(Cc2cncn2C)C1
InChIInChI=1S/C11H17N3O/c1-3-9-4-11(15)14(6-9)7-10-5-12-8-13(10)2/h5,8-9H,3-4,6-7H2,1-2H3/t9-/m1/s1
InChIKeyPQIOWQRFPPDREF-SECBINFHSA-N
XLogP1.18
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-ethyl-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-ethyl-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-one (CID 54202652) is (4R)-4-ethyl-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-ethyl-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-ethyl-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-one is CC[C@@H]1CC(=O)N(Cc2cncn2C)C1.
What is the InChIKey of (4R)-4-ethyl-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-one?
The InChIKey is PQIOWQRFPPDREF-SECBINFHSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-9-4-11(15)14(6-9)7-10-5-12-8-13(10)2/h5,8-9H,3-4,6-7H2,1-2H3/t9-/m1/s1.
What are the key properties of (4R)-4-ethyl-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-one?
(4R)-4-ethyl-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-one has a molecular weight of 207.28 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-ethyl-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 54202652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).