(4S,5R)-1,5-dimethyl-3-[(E)-4-methylpent-2-enoyl]-4-phenylimidazolidin-2-one

C17H22N2O2 — CID 11087392

IUPAC(4S,5R)-1,5-dimethyl-3-[(E)-4-methylpent-2-enoyl]-4-phenylimidazolidin-2-one
SMILESCC(C)/C=C/C(=O)N1C(=O)N(C)[C@H](C)[C@@H]1c1ccccc1
InChIInChI=1S/C17H22N2O2/c1-12(2)10-11-15(20)19-16(13(3)18(4)17(19)21)14-8-6-5-7-9-14/h5-13,16H,1-4H3/b11-10+/t13-,16-/m1/s1
InChIKeyGZOWSJWTBNJLQQ-DRWRZZHCSA-N
MW286.38 g/mol
LogP3.22
Rot. Bonds3

About (4S,5R)-1,5-dimethyl-3-[(E)-4-methylpent-2-enoyl]-4-phenylimidazolidin-2-one

(4S,5R)-1,5-dimethyl-3-[(E)-4-methylpent-2-enoyl]-4-phenylimidazolidin-2-one (PubChem CID 11087392) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is (4S,5R)-1,5-dimethyl-3-[(E)-4-methylpent-2-enoyl]-4-phenylimidazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-1,5-dimethyl-3-[(E)-4-methylpent-2-enoyl]-4-phenylimidazolidin-2-one
PubChem CID11087392
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name(4S,5R)-1,5-dimethyl-3-[(E)-4-methylpent-2-enoyl]-4-phenylimidazolidin-2-one
SMILESCC(C)/C=C/C(=O)N1C(=O)N(C)[C@H](C)[C@@H]1c1ccccc1
InChIInChI=1S/C17H22N2O2/c1-12(2)10-11-15(20)19-16(13(3)18(4)17(19)21)14-8-6-5-7-9-14/h5-13,16H,1-4H3/b11-10+/t13-,16-/m1/s1
InChIKeyGZOWSJWTBNJLQQ-DRWRZZHCSA-N
XLogP3.22
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4S,5R)-1-(2-bromopropanoyl)-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 11110159
(5S)-1,5-dimethyl-3-[3-(4-methylsulfonylphenyl)prop-2-enoyl]-4-phenylimidazolidin-2-one
CID 86617987
(4S,5R)-1-(2,2-dibromoacetyl)-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 11047406
1-(2,2-dimethylpropanoyl)-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 59519611
(4R,5S)-1,5-dimethyl-3-[(2S)-2-methylpentanoyl]-4-phenylimidazolidin-2-one
CID 11098197
N-[2-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidin-1-yl]-2-oxoethyl]-N-formylformamide
CID 101112759
[[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidin-1-yl]-phenylmethylidene]chromium
CID 10961201
(4S,5R)-1-buta-2,3-dien-2-yl-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 12061801
1,5-dimethyl-4-phenyl-3-propan-2-ylimidazolidin-2-one
CID 20685332
(4S,5R)-1-[(2S)-2-amino-5-methylhex-4-enoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 10686826
benzyl 4-[(E)-3-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidin-1-yl]-3-oxoprop-1-enyl]piperidine-1-carboxylate
CID 58822452
(4S,5R)-1-[(2S)-2-bromo-4-phenylbutanoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 139179430

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-1,5-dimethyl-3-[(E)-4-methylpent-2-enoyl]-4-phenylimidazolidin-2-one?
The IUPAC name of (4S,5R)-1,5-dimethyl-3-[(E)-4-methylpent-2-enoyl]-4-phenylimidazolidin-2-one (CID 11087392) is (4S,5R)-1,5-dimethyl-3-[(E)-4-methylpent-2-enoyl]-4-phenylimidazolidin-2-one.
What is the SMILES notation for (4S,5R)-1,5-dimethyl-3-[(E)-4-methylpent-2-enoyl]-4-phenylimidazolidin-2-one?
The canonical SMILES for (4S,5R)-1,5-dimethyl-3-[(E)-4-methylpent-2-enoyl]-4-phenylimidazolidin-2-one is CC(C)/C=C/C(=O)N1C(=O)N(C)[C@H](C)[C@@H]1c1ccccc1.
What is the InChIKey of (4S,5R)-1,5-dimethyl-3-[(E)-4-methylpent-2-enoyl]-4-phenylimidazolidin-2-one?
The InChIKey is GZOWSJWTBNJLQQ-DRWRZZHCSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12(2)10-11-15(20)19-16(13(3)18(4)17(19)21)14-8-6-5-7-9-14/h5-13,16H,1-4H3/b11-10+/t13-,16-/m1/s1.
What are the key properties of (4S,5R)-1,5-dimethyl-3-[(E)-4-methylpent-2-enoyl]-4-phenylimidazolidin-2-one?
(4S,5R)-1,5-dimethyl-3-[(E)-4-methylpent-2-enoyl]-4-phenylimidazolidin-2-one has a molecular weight of 286.38 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-1,5-dimethyl-3-[(E)-4-methylpent-2-enoyl]-4-phenylimidazolidin-2-one is sourced from PubChem (CID 11087392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).