(4S,5R)-1-[(3R)-hex-5-en-3-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one

C17H24N2O — CID 10730915

IUPAC(4S,5R)-1-[(3R)-hex-5-en-3-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one
SMILESC=CCC(CC)N1C(=O)N(C)[C@@H](C)[C@H]1c1ccccc1
InChIInChI=1S/C17H24N2O/c1-5-10-15(6-2)19-16(13(3)18(4)17(19)20)14-11-8-7-9-12-14/h5,7-9,11-13,15-16H,1,6,10H2,2-4H3/t13-,15?,16-/m0/s1
InChIKeyQWLYKIHRZBJDBN-VFDRBLODSA-N
MW272.39 g/mol
LogP3.84
Rot. Bonds5

About (4S,5R)-1-[(3R)-hex-5-en-3-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one

(4S,5R)-1-[(3R)-hex-5-en-3-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one (PubChem CID 10730915) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is (4S,5R)-1-[(3R)-hex-5-en-3-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-1-[(3R)-hex-5-en-3-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one
PubChem CID10730915
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name(4S,5R)-1-[(3R)-hex-5-en-3-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one
SMILESC=CCC(CC)N1C(=O)N(C)[C@@H](C)[C@H]1c1ccccc1
InChIInChI=1S/C17H24N2O/c1-5-10-15(6-2)19-16(13(3)18(4)17(19)20)14-11-8-7-9-12-14/h5,7-9,11-13,15-16H,1,6,10H2,2-4H3/t13-,15?,16-/m0/s1
InChIKeyQWLYKIHRZBJDBN-VFDRBLODSA-N
XLogP3.84
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4R,5S)-1,5-dimethyl-3-[(4R)-6-methylhept-1-en-4-yl]-4-phenylimidazolidin-2-one
CID 10542265
1,5-dimethyl-4-phenyl-3-propan-2-ylimidazolidin-2-one
CID 20685332
(4S,5R)-1-(2,2-dibromoacetyl)-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 11047406
(4R,5S)-1,5-dimethyl-3-[(2S)-2-methylpentanoyl]-4-phenylimidazolidin-2-one
CID 11098197
(4R,5S)-1,4-dimethyl-5-phenyl-3-propanoylimidazolidin-2-one
CID 59890448
[[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidin-1-yl]-phenylmethylidene]chromium
CID 10961201
(4S,5R)-1-[(2R)-2-(benzylamino)butanoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 11024926
(4S,5R)-1-[(2S)-2-amino-5-methylhex-4-enoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 10686826
(4S,5R)-1-buta-2,3-dien-2-yl-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 12061801
(4R,5S)-1,5-dimethyl-3-[(2S,3S)-3-methyl-2-(2-methylpropyl)-2,3-dihydroazet-4-yl]-4-phenylimidazolidin-2-one
CID 24805680
N-[2-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidin-1-yl]-2-oxoethyl]-N-formylformamide
CID 101112759
(4S,5R)-1,5-dimethyl-3-[(E)-4-methylpent-2-enoyl]-4-phenylimidazolidin-2-one
CID 11087392

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-1-[(3R)-hex-5-en-3-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one?
The IUPAC name of (4S,5R)-1-[(3R)-hex-5-en-3-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one (CID 10730915) is (4S,5R)-1-[(3R)-hex-5-en-3-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one.
What is the SMILES notation for (4S,5R)-1-[(3R)-hex-5-en-3-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one?
The canonical SMILES for (4S,5R)-1-[(3R)-hex-5-en-3-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one is C=CCC(CC)N1C(=O)N(C)[C@@H](C)[C@H]1c1ccccc1.
What is the InChIKey of (4S,5R)-1-[(3R)-hex-5-en-3-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one?
The InChIKey is QWLYKIHRZBJDBN-VFDRBLODSA-N. The full InChI is InChI=1S/C17H24N2O/c1-5-10-15(6-2)19-16(13(3)18(4)17(19)20)14-11-8-7-9-12-14/h5,7-9,11-13,15-16H,1,6,10H2,2-4H3/t13-,15?,16-/m0/s1.
What are the key properties of (4S,5R)-1-[(3R)-hex-5-en-3-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one?
(4S,5R)-1-[(3R)-hex-5-en-3-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one has a molecular weight of 272.39 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-1-[(3R)-hex-5-en-3-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one is sourced from PubChem (CID 10730915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).