4-methyl-3-propyl-1H-imidazol-2-one

C7H12N2O — CID 55287836

IUPAC4-methyl-3-propyl-1H-imidazol-2-one
SMILESCCCn1c(C)c[nH]c1=O
InChIInChI=1S/C7H12N2O/c1-3-4-9-6(2)5-8-7(9)10/h5H,3-4H2,1-2H3,(H,8,10)
InChIKeyIYSHCEXFFSZNFV-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.89
Rot. Bonds2

About 4-methyl-3-propyl-1H-imidazol-2-one

4-methyl-3-propyl-1H-imidazol-2-one (PubChem CID 55287836) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 4-methyl-3-propyl-1H-imidazol-2-one.

Molecular Properties

Compound Name4-methyl-3-propyl-1H-imidazol-2-one
PubChem CID55287836
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name4-methyl-3-propyl-1H-imidazol-2-one
SMILESCCCn1c(C)c[nH]c1=O
InChIInChI=1S/C7H12N2O/c1-3-4-9-6(2)5-8-7(9)10/h5H,3-4H2,1-2H3,(H,8,10)
InChIKeyIYSHCEXFFSZNFV-UHFFFAOYSA-N
XLogP0.89
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-propyl-1H-imidazol-2-one?
The IUPAC name of 4-methyl-3-propyl-1H-imidazol-2-one (CID 55287836) is 4-methyl-3-propyl-1H-imidazol-2-one.
What is the SMILES notation for 4-methyl-3-propyl-1H-imidazol-2-one?
The canonical SMILES for 4-methyl-3-propyl-1H-imidazol-2-one is CCCn1c(C)c[nH]c1=O.
What is the InChIKey of 4-methyl-3-propyl-1H-imidazol-2-one?
The InChIKey is IYSHCEXFFSZNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-3-4-9-6(2)5-8-7(9)10/h5H,3-4H2,1-2H3,(H,8,10).
What are the key properties of 4-methyl-3-propyl-1H-imidazol-2-one?
4-methyl-3-propyl-1H-imidazol-2-one has a molecular weight of 140.19 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-propyl-1H-imidazol-2-one is sourced from PubChem (CID 55287836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).