2-imidazolidin-2-ylidene-1-phenylethanone

C11H12N2O — CID 821546

IUPAC2-imidazolidin-2-ylidene-1-phenylethanone
SMILESO=C(C=C1NCCN1)c1ccccc1
InChIInChI=1S/C11H12N2O/c14-10(8-11-12-6-7-13-11)9-4-2-1-3-5-9/h1-5,8,12-13H,6-7H2
InChIKeySTMPGMKENCNIFM-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.90
Rot. Bonds2

About 2-imidazolidin-2-ylidene-1-phenylethanone

2-imidazolidin-2-ylidene-1-phenylethanone (PubChem CID 821546) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-imidazolidin-2-ylidene-1-phenylethanone.

Molecular Properties

Compound Name2-imidazolidin-2-ylidene-1-phenylethanone
PubChem CID821546
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2-imidazolidin-2-ylidene-1-phenylethanone
SMILESO=C(C=C1NCCN1)c1ccccc1
InChIInChI=1S/C11H12N2O/c14-10(8-11-12-6-7-13-11)9-4-2-1-3-5-9/h1-5,8,12-13H,6-7H2
InChIKeySTMPGMKENCNIFM-UHFFFAOYSA-N
XLogP0.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-imidazolidin-2-ylidene-1-phenylethanone?
The IUPAC name of 2-imidazolidin-2-ylidene-1-phenylethanone (CID 821546) is 2-imidazolidin-2-ylidene-1-phenylethanone.
What is the SMILES notation for 2-imidazolidin-2-ylidene-1-phenylethanone?
The canonical SMILES for 2-imidazolidin-2-ylidene-1-phenylethanone is O=C(C=C1NCCN1)c1ccccc1.
What is the InChIKey of 2-imidazolidin-2-ylidene-1-phenylethanone?
The InChIKey is STMPGMKENCNIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c14-10(8-11-12-6-7-13-11)9-4-2-1-3-5-9/h1-5,8,12-13H,6-7H2.
What are the key properties of 2-imidazolidin-2-ylidene-1-phenylethanone?
2-imidazolidin-2-ylidene-1-phenylethanone has a molecular weight of 188.23 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazolidin-2-ylidene-1-phenylethanone is sourced from PubChem (CID 821546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).