3-[3-(ethylamino)propyl]-4-hydroxy-1H-imidazol-2-one

C8H15N3O2 — CID 54543691

IUPAC3-[3-(ethylamino)propyl]-4-hydroxy-1H-imidazol-2-one
SMILESCCNCCCn1c(O)c[nH]c1=O
InChIInChI=1S/C8H15N3O2/c1-2-9-4-3-5-11-7(12)6-10-8(11)13/h6,9,12H,2-5H2,1H3,(H,10,13)
InChIKeyZFAXHGTYTOZUIV-UHFFFAOYSA-N
MW185.23 g/mol
LogP-0.12
Rot. Bonds5

About 3-[3-(ethylamino)propyl]-4-hydroxy-1H-imidazol-2-one

3-[3-(ethylamino)propyl]-4-hydroxy-1H-imidazol-2-one (PubChem CID 54543691) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 3-[3-(ethylamino)propyl]-4-hydroxy-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[3-(ethylamino)propyl]-4-hydroxy-1H-imidazol-2-one
PubChem CID54543691
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name3-[3-(ethylamino)propyl]-4-hydroxy-1H-imidazol-2-one
SMILESCCNCCCn1c(O)c[nH]c1=O
InChIInChI=1S/C8H15N3O2/c1-2-9-4-3-5-11-7(12)6-10-8(11)13/h6,9,12H,2-5H2,1H3,(H,10,13)
InChIKeyZFAXHGTYTOZUIV-UHFFFAOYSA-N
XLogP-0.12
TPSA70.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(ethylamino)propyl]-4-hydroxy-1H-imidazol-2-one?
The IUPAC name of 3-[3-(ethylamino)propyl]-4-hydroxy-1H-imidazol-2-one (CID 54543691) is 3-[3-(ethylamino)propyl]-4-hydroxy-1H-imidazol-2-one.
What is the SMILES notation for 3-[3-(ethylamino)propyl]-4-hydroxy-1H-imidazol-2-one?
The canonical SMILES for 3-[3-(ethylamino)propyl]-4-hydroxy-1H-imidazol-2-one is CCNCCCn1c(O)c[nH]c1=O.
What is the InChIKey of 3-[3-(ethylamino)propyl]-4-hydroxy-1H-imidazol-2-one?
The InChIKey is ZFAXHGTYTOZUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-2-9-4-3-5-11-7(12)6-10-8(11)13/h6,9,12H,2-5H2,1H3,(H,10,13).
What are the key properties of 3-[3-(ethylamino)propyl]-4-hydroxy-1H-imidazol-2-one?
3-[3-(ethylamino)propyl]-4-hydroxy-1H-imidazol-2-one has a molecular weight of 185.23 g/mol, XLogP of -0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(ethylamino)propyl]-4-hydroxy-1H-imidazol-2-one is sourced from PubChem (CID 54543691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).