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

C6H10N2O — CID 15242001

IUPAC3-propyl-1H-imidazol-2-one
SMILESCCCn1cc[nH]c1=O
InChIInChI=1S/C6H10N2O/c1-2-4-8-5-3-7-6(8)9/h3,5H,2,4H2,1H3,(H,7,9)
InChIKeyOQSJGTCIMQQHLG-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.59
Rot. Bonds2

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

3-propyl-1H-imidazol-2-one (PubChem CID 15242001) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 3-propyl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-propyl-1H-imidazol-2-one
PubChem CID15242001
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name3-propyl-1H-imidazol-2-one
SMILESCCCn1cc[nH]c1=O
InChIInChI=1S/C6H10N2O/c1-2-4-8-5-3-7-6(8)9/h3,5H,2,4H2,1H3,(H,7,9)
InChIKeyOQSJGTCIMQQHLG-UHFFFAOYSA-N
XLogP0.59
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-1H-imidazol-2-one?
The IUPAC name of 3-propyl-1H-imidazol-2-one (CID 15242001) is 3-propyl-1H-imidazol-2-one.
What is the SMILES notation for 3-propyl-1H-imidazol-2-one?
The canonical SMILES for 3-propyl-1H-imidazol-2-one is CCCn1cc[nH]c1=O.
What is the InChIKey of 3-propyl-1H-imidazol-2-one?
The InChIKey is OQSJGTCIMQQHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-2-4-8-5-3-7-6(8)9/h3,5H,2,4H2,1H3,(H,7,9).
What are the key properties of 3-propyl-1H-imidazol-2-one?
3-propyl-1H-imidazol-2-one has a molecular weight of 126.16 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1H-imidazol-2-one is sourced from PubChem (CID 15242001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).