(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(E)-2-phenylethenyl]-3-propan-2-ylazetidin-2-one
CID 70066029
(4S,5R)-5-[(E)-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 102013687
(1R,3R,3aR,6aS)-5-methyl-1-[(E)-2-phenylethenyl]-3-pyridin-2-yl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione
CID 102263399
3-(2-methylpropyl)-2-phenyl-5-propan-2-ylimidazolidin-4-one
CID 83242661
(4S,4aS,5S,8aS)-3,5,8-trimethyl-4-[(E)-2-phenylethenyl]-1,4,4a,5,6,8a-hexahydropyrimido[4,5-d]pyrimidine-2,7-dione
CID 11872621
2-(3,4-difluorophenyl)-3-methyl-5-propan-2-ylimidazolidin-4-one
CID 83260491
2-[(E)-2-phenylethenyl]cyclopropan-1-one
CID 141437037
2-[(E)-2-phenylethenyl]cyclobutan-1-one
CID 131241395
3-(4-methylpentan-2-yl)-2-phenyl-5-propan-2-ylimidazolidin-4-one
CID 83248068
3-butyl-2-(2-methylphenyl)-5-propan-2-ylimidazolidin-4-one
CID 83236786
3-methyl-2-(3-nitrophenyl)-5-propan-2-ylimidazolidin-4-one
CID 83260322
(3R,6S,9S,12S,15R)-12-benzyl-1-methyl-6,9,15-tris(2-methylpropyl)-3-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 102076216

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).