5-imino-4-oxopentanimidamide

C5H9N3O — CID 90854021

IUPAC5-imino-4-oxopentanimidamide
SMILES[H]/N=C(\N)CCC(=O)/C=N/[H]
InChIInChI=1S/C5H9N3O/c6-3-4(9)1-2-5(7)8/h3,6H,1-2H2,(H3,7,8)/b6-3+
InChIKeyVYHLZCWTDIDWMA-ZZXKWVIFSA-N
MW127.15 g/mol
LogP-0.08
Rot. Bonds4

About 5-imino-4-oxopentanimidamide

5-imino-4-oxopentanimidamide (PubChem CID 90854021) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 5-imino-4-oxopentanimidamide.

Molecular Properties

Compound Name5-imino-4-oxopentanimidamide
PubChem CID90854021
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name5-imino-4-oxopentanimidamide
SMILES[H]/N=C(\N)CCC(=O)/C=N/[H]
InChIInChI=1S/C5H9N3O/c6-3-4(9)1-2-5(7)8/h3,6H,1-2H2,(H3,7,8)/b6-3+
InChIKeyVYHLZCWTDIDWMA-ZZXKWVIFSA-N
XLogP-0.08
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-imino-4-oxopentanimidamide?
The IUPAC name of 5-imino-4-oxopentanimidamide (CID 90854021) is 5-imino-4-oxopentanimidamide.
What is the SMILES notation for 5-imino-4-oxopentanimidamide?
The canonical SMILES for 5-imino-4-oxopentanimidamide is [H]/N=C(\N)CCC(=O)/C=N/[H].
What is the InChIKey of 5-imino-4-oxopentanimidamide?
The InChIKey is VYHLZCWTDIDWMA-ZZXKWVIFSA-N. The full InChI is InChI=1S/C5H9N3O/c6-3-4(9)1-2-5(7)8/h3,6H,1-2H2,(H3,7,8)/b6-3+.
What are the key properties of 5-imino-4-oxopentanimidamide?
5-imino-4-oxopentanimidamide has a molecular weight of 127.15 g/mol, XLogP of -0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-4-oxopentanimidamide is sourced from PubChem (CID 90854021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).