(2E)-2-(1-hydroxy-4,5,5-trimethylimidazolidin-2-ylidene)-1-phenylethanone

C14H18N2O2 — CID 5389116

IUPAC(2E)-2-(1-hydroxy-4,5,5-trimethylimidazolidin-2-ylidene)-1-phenylethanone
SMILESCC1N/C(=C\C(=O)c2ccccc2)N(O)C1(C)C
InChIInChI=1S/C14H18N2O2/c1-10-14(2,3)16(18)13(15-10)9-12(17)11-7-5-4-6-8-11/h4-10,15,18H,1-3H3/b13-9+
InChIKeyQBKYOVZJSJZBIZ-UKTHLTGXSA-N
MW246.31 g/mol
LogP2.17
Rot. Bonds2

About (2E)-2-(1-hydroxy-4,5,5-trimethylimidazolidin-2-ylidene)-1-phenylethanone

(2E)-2-(1-hydroxy-4,5,5-trimethylimidazolidin-2-ylidene)-1-phenylethanone (PubChem CID 5389116) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is (2E)-2-(1-hydroxy-4,5,5-trimethylimidazolidin-2-ylidene)-1-phenylethanone.

Molecular Properties

Compound Name(2E)-2-(1-hydroxy-4,5,5-trimethylimidazolidin-2-ylidene)-1-phenylethanone
PubChem CID5389116
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name(2E)-2-(1-hydroxy-4,5,5-trimethylimidazolidin-2-ylidene)-1-phenylethanone
SMILESCC1N/C(=C\C(=O)c2ccccc2)N(O)C1(C)C
InChIInChI=1S/C14H18N2O2/c1-10-14(2,3)16(18)13(15-10)9-12(17)11-7-5-4-6-8-11/h4-10,15,18H,1-3H3/b13-9+
InChIKeyQBKYOVZJSJZBIZ-UKTHLTGXSA-N
XLogP2.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(1-hydroxy-4,5,5-trimethylimidazolidin-2-ylidene)-1-phenylethanone?
The IUPAC name of (2E)-2-(1-hydroxy-4,5,5-trimethylimidazolidin-2-ylidene)-1-phenylethanone (CID 5389116) is (2E)-2-(1-hydroxy-4,5,5-trimethylimidazolidin-2-ylidene)-1-phenylethanone.
What is the SMILES notation for (2E)-2-(1-hydroxy-4,5,5-trimethylimidazolidin-2-ylidene)-1-phenylethanone?
The canonical SMILES for (2E)-2-(1-hydroxy-4,5,5-trimethylimidazolidin-2-ylidene)-1-phenylethanone is CC1N/C(=C\C(=O)c2ccccc2)N(O)C1(C)C.
What is the InChIKey of (2E)-2-(1-hydroxy-4,5,5-trimethylimidazolidin-2-ylidene)-1-phenylethanone?
The InChIKey is QBKYOVZJSJZBIZ-UKTHLTGXSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10-14(2,3)16(18)13(15-10)9-12(17)11-7-5-4-6-8-11/h4-10,15,18H,1-3H3/b13-9+.
What are the key properties of (2E)-2-(1-hydroxy-4,5,5-trimethylimidazolidin-2-ylidene)-1-phenylethanone?
(2E)-2-(1-hydroxy-4,5,5-trimethylimidazolidin-2-ylidene)-1-phenylethanone has a molecular weight of 246.31 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(1-hydroxy-4,5,5-trimethylimidazolidin-2-ylidene)-1-phenylethanone is sourced from PubChem (CID 5389116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).