3-methyl-1H-imidazol-2-one;molecular hydrogen

C4H8N2O — CID 166530450

IUPAC3-methyl-1H-imidazol-2-one;molecular hydrogen
SMILESCn1cc[nH]c1=O.[H][H]
InChIInChI=1S/C4H6N2O.H2/c1-6-3-2-5-4(6)7;/h2-3H,1H3,(H,5,7);1H
InChIKeyDHNOEGLMVZANRI-UHFFFAOYSA-N
MW100.12 g/mol
LogP-0.04
Rot. Bonds

About 3-methyl-1H-imidazol-2-one;molecular hydrogen

3-methyl-1H-imidazol-2-one;molecular hydrogen (PubChem CID 166530450) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is 3-methyl-1H-imidazol-2-one;molecular hydrogen.

Molecular Properties

Compound Name3-methyl-1H-imidazol-2-one;molecular hydrogen
PubChem CID166530450
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Name3-methyl-1H-imidazol-2-one;molecular hydrogen
SMILESCn1cc[nH]c1=O.[H][H]
InChIInChI=1S/C4H6N2O.H2/c1-6-3-2-5-4(6)7;/h2-3H,1H3,(H,5,7);1H
InChIKeyDHNOEGLMVZANRI-UHFFFAOYSA-N
XLogP-0.04
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1H-imidazol-2-one;molecular hydrogen?
The IUPAC name of 3-methyl-1H-imidazol-2-one;molecular hydrogen (CID 166530450) is 3-methyl-1H-imidazol-2-one;molecular hydrogen.
What is the SMILES notation for 3-methyl-1H-imidazol-2-one;molecular hydrogen?
The canonical SMILES for 3-methyl-1H-imidazol-2-one;molecular hydrogen is Cn1cc[nH]c1=O.[H][H].
What is the InChIKey of 3-methyl-1H-imidazol-2-one;molecular hydrogen?
The InChIKey is DHNOEGLMVZANRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O.H2/c1-6-3-2-5-4(6)7;/h2-3H,1H3,(H,5,7);1H.
What are the key properties of 3-methyl-1H-imidazol-2-one;molecular hydrogen?
3-methyl-1H-imidazol-2-one;molecular hydrogen has a molecular weight of 100.12 g/mol, XLogP of -0.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1H-imidazol-2-one;molecular hydrogen is sourced from PubChem (CID 166530450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).