2,3-dimethyl-5-propan-2-ylideneimidazol-4-one

C8H12N2O — CID 170794422

IUPAC2,3-dimethyl-5-propan-2-ylideneimidazol-4-one
SMILESCC1=NC(=C(C)C)C(=O)N1C
InChIInChI=1S/C8H12N2O/c1-5(2)7-8(11)10(4)6(3)9-7/h1-4H3
InChIKeyNWIADODVJJZIQA-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.17
Rot. Bonds

About 2,3-dimethyl-5-propan-2-ylideneimidazol-4-one

2,3-dimethyl-5-propan-2-ylideneimidazol-4-one (PubChem CID 170794422) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2,3-dimethyl-5-propan-2-ylideneimidazol-4-one.

Molecular Properties

Compound Name2,3-dimethyl-5-propan-2-ylideneimidazol-4-one
PubChem CID170794422
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2,3-dimethyl-5-propan-2-ylideneimidazol-4-one
SMILESCC1=NC(=C(C)C)C(=O)N1C
InChIInChI=1S/C8H12N2O/c1-5(2)7-8(11)10(4)6(3)9-7/h1-4H3
InChIKeyNWIADODVJJZIQA-UHFFFAOYSA-N
XLogP1.17
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2,3-dimethyl-5-propan-2-ylideneimidazol-4-one?
The IUPAC name of 2,3-dimethyl-5-propan-2-ylideneimidazol-4-one (CID 170794422) is 2,3-dimethyl-5-propan-2-ylideneimidazol-4-one.
What is the SMILES notation for 2,3-dimethyl-5-propan-2-ylideneimidazol-4-one?
The canonical SMILES for 2,3-dimethyl-5-propan-2-ylideneimidazol-4-one is CC1=NC(=C(C)C)C(=O)N1C.
What is the InChIKey of 2,3-dimethyl-5-propan-2-ylideneimidazol-4-one?
The InChIKey is NWIADODVJJZIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-5(2)7-8(11)10(4)6(3)9-7/h1-4H3.
What are the key properties of 2,3-dimethyl-5-propan-2-ylideneimidazol-4-one?
2,3-dimethyl-5-propan-2-ylideneimidazol-4-one has a molecular weight of 152.20 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-propan-2-ylideneimidazol-4-one is sourced from PubChem (CID 170794422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).