(5Z)-5-[(2-methoxyphenyl)methylidene]-3-methyl-2-methylideneimidazolidin-4-one

C13H14N2O2 — CID 90965007

IUPAC(5Z)-5-[(2-methoxyphenyl)methylidene]-3-methyl-2-methylideneimidazolidin-4-one
SMILESC=c1[nH]/c(=C\c2ccccc2OC)c(=O)n1C
InChIInChI=1S/C13H14N2O2/c1-9-14-11(13(16)15(9)2)8-10-6-4-5-7-12(10)17-3/h4-8,14H,1H2,2-3H3/b11-8-
InChIKeyBLLKTRNNTJBGSQ-FLIBITNWSA-N
MW230.27 g/mol
LogP-0.04
Rot. Bonds2

About (5Z)-5-[(2-methoxyphenyl)methylidene]-3-methyl-2-methylideneimidazolidin-4-one

(5Z)-5-[(2-methoxyphenyl)methylidene]-3-methyl-2-methylideneimidazolidin-4-one (PubChem CID 90965007) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is (5Z)-5-[(2-methoxyphenyl)methylidene]-3-methyl-2-methylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(2-methoxyphenyl)methylidene]-3-methyl-2-methylideneimidazolidin-4-one
PubChem CID90965007
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name(5Z)-5-[(2-methoxyphenyl)methylidene]-3-methyl-2-methylideneimidazolidin-4-one
SMILESC=c1[nH]/c(=C\c2ccccc2OC)c(=O)n1C
InChIInChI=1S/C13H14N2O2/c1-9-14-11(13(16)15(9)2)8-10-6-4-5-7-12(10)17-3/h4-8,14H,1H2,2-3H3/b11-8-
InChIKeyBLLKTRNNTJBGSQ-FLIBITNWSA-N
XLogP-0.04
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,3-dimethoxyphenyl)methylidene]-2-methylidene-1,3-oxazolidin-5-one
CID 56610478
(3E)-3-[(2-methoxyphenyl)methylidene]oxolane-2,5-dione
CID 82158591
(5Z)-5-[[2-(2-methoxyphenoxy)phenyl]methylidene]-2-methylidene-1,3-thiazolidin-4-one
CID 158532484
(5Z)-3-(4-fluorophenyl)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18840331
(4Z)-4-[(2-methoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
CID 689331
(5Z)-5-benzylidene-1-methyl-2-methylidene-1,3-diazinane-4,6-dione
CID 143386373
(3E,5E)-3,5-bis[(2-methoxyphenyl)methylidene]oxan-4-one
CID 121461091
5-[[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-methylidene-1,3-thiazolidin-4-one
CID 157411053
4-[(4E)-4-[(2-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]benzoic acid
CID 6447765
1-tert-butyl-5-[(2-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 794061
(5Z)-5-[(2-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1206905
(5Z)-1-(4-bromophenyl)-5-[(2-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 1378037

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2-methoxyphenyl)methylidene]-3-methyl-2-methylideneimidazolidin-4-one?
The IUPAC name of (5Z)-5-[(2-methoxyphenyl)methylidene]-3-methyl-2-methylideneimidazolidin-4-one (CID 90965007) is (5Z)-5-[(2-methoxyphenyl)methylidene]-3-methyl-2-methylideneimidazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(2-methoxyphenyl)methylidene]-3-methyl-2-methylideneimidazolidin-4-one?
The canonical SMILES for (5Z)-5-[(2-methoxyphenyl)methylidene]-3-methyl-2-methylideneimidazolidin-4-one is C=c1[nH]/c(=C\c2ccccc2OC)c(=O)n1C.
What is the InChIKey of (5Z)-5-[(2-methoxyphenyl)methylidene]-3-methyl-2-methylideneimidazolidin-4-one?
The InChIKey is BLLKTRNNTJBGSQ-FLIBITNWSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9-14-11(13(16)15(9)2)8-10-6-4-5-7-12(10)17-3/h4-8,14H,1H2,2-3H3/b11-8-.
What are the key properties of (5Z)-5-[(2-methoxyphenyl)methylidene]-3-methyl-2-methylideneimidazolidin-4-one?
(5Z)-5-[(2-methoxyphenyl)methylidene]-3-methyl-2-methylideneimidazolidin-4-one has a molecular weight of 230.27 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-methoxyphenyl)methylidene]-3-methyl-2-methylideneimidazolidin-4-one is sourced from PubChem (CID 90965007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).