(2S,5S)-3-methyl-2-[(E)-2-phenylethenyl]-5-propan-2-ylimidazolidin-4-one

C15H20N2O — CID 101494144

IUPAC(2S,5S)-3-methyl-2-[(E)-2-phenylethenyl]-5-propan-2-ylimidazolidin-4-one
SMILESCC(C)[C@@H]1N[C@H](/C=C/c2ccccc2)N(C)C1=O
InChIInChI=1S/C15H20N2O/c1-11(2)14-15(18)17(3)13(16-14)10-9-12-7-5-4-6-8-12/h4-11,13-14,16H,1-3H3/b10-9+/t13-,14-/m0/s1
InChIKeyQGEMQNVBEHURJX-KYXFNPKGSA-N
MW244.34 g/mol
LogP2.11
Rot. Bonds3

About (2S,5S)-3-methyl-2-[(E)-2-phenylethenyl]-5-propan-2-ylimidazolidin-4-one

(2S,5S)-3-methyl-2-[(E)-2-phenylethenyl]-5-propan-2-ylimidazolidin-4-one (PubChem CID 101494144) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (2S,5S)-3-methyl-2-[(E)-2-phenylethenyl]-5-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name(2S,5S)-3-methyl-2-[(E)-2-phenylethenyl]-5-propan-2-ylimidazolidin-4-one
PubChem CID101494144
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(2S,5S)-3-methyl-2-[(E)-2-phenylethenyl]-5-propan-2-ylimidazolidin-4-one
SMILESCC(C)[C@@H]1N[C@H](/C=C/c2ccccc2)N(C)C1=O
InChIInChI=1S/C15H20N2O/c1-11(2)14-15(18)17(3)13(16-14)10-9-12-7-5-4-6-8-12/h4-11,13-14,16H,1-3H3/b10-9+/t13-,14-/m0/s1
InChIKeyQGEMQNVBEHURJX-KYXFNPKGSA-N
XLogP2.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-3-methyl-2-[(E)-2-phenylethenyl]-5-propan-2-ylimidazolidin-4-one?
The IUPAC name of (2S,5S)-3-methyl-2-[(E)-2-phenylethenyl]-5-propan-2-ylimidazolidin-4-one (CID 101494144) is (2S,5S)-3-methyl-2-[(E)-2-phenylethenyl]-5-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for (2S,5S)-3-methyl-2-[(E)-2-phenylethenyl]-5-propan-2-ylimidazolidin-4-one?
The canonical SMILES for (2S,5S)-3-methyl-2-[(E)-2-phenylethenyl]-5-propan-2-ylimidazolidin-4-one is CC(C)[C@@H]1N[C@H](/C=C/c2ccccc2)N(C)C1=O.
What is the InChIKey of (2S,5S)-3-methyl-2-[(E)-2-phenylethenyl]-5-propan-2-ylimidazolidin-4-one?
The InChIKey is QGEMQNVBEHURJX-KYXFNPKGSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11(2)14-15(18)17(3)13(16-14)10-9-12-7-5-4-6-8-12/h4-11,13-14,16H,1-3H3/b10-9+/t13-,14-/m0/s1.
What are the key properties of (2S,5S)-3-methyl-2-[(E)-2-phenylethenyl]-5-propan-2-ylimidazolidin-4-one?
(2S,5S)-3-methyl-2-[(E)-2-phenylethenyl]-5-propan-2-ylimidazolidin-4-one has a molecular weight of 244.34 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-3-methyl-2-[(E)-2-phenylethenyl]-5-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 101494144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).