1,5-dimethyl-3-(3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl)-4-phenylimidazolidin-2-one

C18H20N2O3 — CID 73236404

IUPAC1,5-dimethyl-3-(3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl)-4-phenylimidazolidin-2-one
SMILESCC1C(c2ccccc2)N(C2C(=O)CC3C=CC2O3)C(=O)N1C
InChIInChI=1S/C18H20N2O3/c1-11-16(12-6-4-3-5-7-12)20(18(22)19(11)2)17-14(21)10-13-8-9-15(17)23-13/h3-9,11,13,15-17H,10H2,1-2H3
InChIKeyFTLHEKFLSKIBRJ-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.15
Rot. Bonds2

About 1,5-dimethyl-3-(3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl)-4-phenylimidazolidin-2-one

1,5-dimethyl-3-(3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl)-4-phenylimidazolidin-2-one (PubChem CID 73236404) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1,5-dimethyl-3-(3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl)-4-phenylimidazolidin-2-one.

Molecular Properties

Compound Name1,5-dimethyl-3-(3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl)-4-phenylimidazolidin-2-one
PubChem CID73236404
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name1,5-dimethyl-3-(3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl)-4-phenylimidazolidin-2-one
SMILESCC1C(c2ccccc2)N(C2C(=O)CC3C=CC2O3)C(=O)N1C
InChIInChI=1S/C18H20N2O3/c1-11-16(12-6-4-3-5-7-12)20(18(22)19(11)2)17-14(21)10-13-8-9-15(17)23-13/h3-9,11,13,15-17H,10H2,1-2H3
InChIKeyFTLHEKFLSKIBRJ-UHFFFAOYSA-N
XLogP2.15
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,5-dimethyl-3-(3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl)-4-phenylimidazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (1S,2R,5S)-2-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidin-1-yl]-3-oxo-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate
CID 102276867
(4S,5R)-1-[(5S)-5-[2-(furan-2-yl)ethyl]-2,5-dihydrofuran-2-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 11325633
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
(4S,5R)-1-(2-bromopropanoyl)-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 11110159
3-[(1S,5S)-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-1,3-oxazolidin-2-one
CID 135056977
(1R,2S,5R)-2-[(1S)-1-phenylethoxy]-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 11564997
[[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidin-1-yl]-phenylmethylidene]chromium
CID 10961201
(4R,5S)-1,5-dimethyl-4-phenyl-3-(2-phenylethynyl)imidazolidin-2-one
CID 71359946
1-(2,2-dimethylpropanoyl)-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 59519611
(4S,5R)-1,5-dimethyl-4-phenyl-3-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]imidazolidin-2-one
CID 10712775
(4S,5R)-1-buta-2,3-dien-2-yl-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 12061801

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3-(3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl)-4-phenylimidazolidin-2-one?
The IUPAC name of 1,5-dimethyl-3-(3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl)-4-phenylimidazolidin-2-one (CID 73236404) is 1,5-dimethyl-3-(3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl)-4-phenylimidazolidin-2-one.
What is the SMILES notation for 1,5-dimethyl-3-(3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl)-4-phenylimidazolidin-2-one?
The canonical SMILES for 1,5-dimethyl-3-(3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl)-4-phenylimidazolidin-2-one is CC1C(c2ccccc2)N(C2C(=O)CC3C=CC2O3)C(=O)N1C.
What is the InChIKey of 1,5-dimethyl-3-(3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl)-4-phenylimidazolidin-2-one?
The InChIKey is FTLHEKFLSKIBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-11-16(12-6-4-3-5-7-12)20(18(22)19(11)2)17-14(21)10-13-8-9-15(17)23-13/h3-9,11,13,15-17H,10H2,1-2H3.
What are the key properties of 1,5-dimethyl-3-(3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl)-4-phenylimidazolidin-2-one?
1,5-dimethyl-3-(3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl)-4-phenylimidazolidin-2-one has a molecular weight of 312.37 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3-(3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl)-4-phenylimidazolidin-2-one is sourced from PubChem (CID 73236404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).