hydrazinyl 3-(2-oxo-3-propylimidazol-1-yl)propanoate

C9H16N4O3 — CID 80582931

IUPAChydrazinyl 3-(2-oxo-3-propylimidazol-1-yl)propanoate
SMILESCCCn1ccn(CCC(=O)ONN)c1=O
InChIInChI=1S/C9H16N4O3/c1-2-4-12-6-7-13(9(12)15)5-3-8(14)16-11-10/h6-7,11H,2-5,10H2,1H3
InChIKeyKYEDFWJDQUPYRW-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.63
Rot. Bonds6

About hydrazinyl 3-(2-oxo-3-propylimidazol-1-yl)propanoate

hydrazinyl 3-(2-oxo-3-propylimidazol-1-yl)propanoate (PubChem CID 80582931) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is hydrazinyl 3-(2-oxo-3-propylimidazol-1-yl)propanoate.

Molecular Properties

Compound Namehydrazinyl 3-(2-oxo-3-propylimidazol-1-yl)propanoate
PubChem CID80582931
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC Namehydrazinyl 3-(2-oxo-3-propylimidazol-1-yl)propanoate
SMILESCCCn1ccn(CCC(=O)ONN)c1=O
InChIInChI=1S/C9H16N4O3/c1-2-4-12-6-7-13(9(12)15)5-3-8(14)16-11-10/h6-7,11H,2-5,10H2,1H3
InChIKeyKYEDFWJDQUPYRW-UHFFFAOYSA-N
XLogP-0.63
TPSA91.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydrazinyl 3-(2-oxo-3-propylimidazol-1-yl)propanoate?
The IUPAC name of hydrazinyl 3-(2-oxo-3-propylimidazol-1-yl)propanoate (CID 80582931) is hydrazinyl 3-(2-oxo-3-propylimidazol-1-yl)propanoate.
What is the SMILES notation for hydrazinyl 3-(2-oxo-3-propylimidazol-1-yl)propanoate?
The canonical SMILES for hydrazinyl 3-(2-oxo-3-propylimidazol-1-yl)propanoate is CCCn1ccn(CCC(=O)ONN)c1=O.
What is the InChIKey of hydrazinyl 3-(2-oxo-3-propylimidazol-1-yl)propanoate?
The InChIKey is KYEDFWJDQUPYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c1-2-4-12-6-7-13(9(12)15)5-3-8(14)16-11-10/h6-7,11H,2-5,10H2,1H3.
What are the key properties of hydrazinyl 3-(2-oxo-3-propylimidazol-1-yl)propanoate?
hydrazinyl 3-(2-oxo-3-propylimidazol-1-yl)propanoate has a molecular weight of 228.25 g/mol, XLogP of -0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl 3-(2-oxo-3-propylimidazol-1-yl)propanoate is sourced from PubChem (CID 80582931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).