3-(3-aminopropyl)-1H-imidazol-2-one

C6H11N3O — CID 45156757

IUPAC3-(3-aminopropyl)-1H-imidazol-2-one
SMILESNCCCn1cc[nH]c1=O
InChIInChI=1S/C6H11N3O/c7-2-1-4-9-5-3-8-6(9)10/h3,5H,1-2,4,7H2,(H,8,10)
InChIKeyUVOZRLFPQKLYFR-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.47
Rot. Bonds3

About 3-(3-aminopropyl)-1H-imidazol-2-one

3-(3-aminopropyl)-1H-imidazol-2-one (PubChem CID 45156757) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 3-(3-aminopropyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(3-aminopropyl)-1H-imidazol-2-one
PubChem CID45156757
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name3-(3-aminopropyl)-1H-imidazol-2-one
SMILESNCCCn1cc[nH]c1=O
InChIInChI=1S/C6H11N3O/c7-2-1-4-9-5-3-8-6(9)10/h3,5H,1-2,4,7H2,(H,8,10)
InChIKeyUVOZRLFPQKLYFR-UHFFFAOYSA-N
XLogP-0.47
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-1H-imidazol-2-one?
The IUPAC name of 3-(3-aminopropyl)-1H-imidazol-2-one (CID 45156757) is 3-(3-aminopropyl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(3-aminopropyl)-1H-imidazol-2-one?
The canonical SMILES for 3-(3-aminopropyl)-1H-imidazol-2-one is NCCCn1cc[nH]c1=O.
What is the InChIKey of 3-(3-aminopropyl)-1H-imidazol-2-one?
The InChIKey is UVOZRLFPQKLYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c7-2-1-4-9-5-3-8-6(9)10/h3,5H,1-2,4,7H2,(H,8,10).
What are the key properties of 3-(3-aminopropyl)-1H-imidazol-2-one?
3-(3-aminopropyl)-1H-imidazol-2-one has a molecular weight of 141.17 g/mol, XLogP of -0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-1H-imidazol-2-one is sourced from PubChem (CID 45156757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).