4-methyl-3-oxohex-5-ynimidamide

C7H10N2O — CID 163419253

IUPAC4-methyl-3-oxohex-5-ynimidamide
SMILES[H]/N=C(\N)CC(=O)C(C)C#C
InChIInChI=1S/C7H10N2O/c1-3-5(2)6(10)4-7(8)9/h1,5H,4H2,2H3,(H3,8,9)
InChIKeyAHAMPPJIEVXDLE-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.15
Rot. Bonds3

About 4-methyl-3-oxohex-5-ynimidamide

4-methyl-3-oxohex-5-ynimidamide (PubChem CID 163419253) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 4-methyl-3-oxohex-5-ynimidamide.

Molecular Properties

Compound Name4-methyl-3-oxohex-5-ynimidamide
PubChem CID163419253
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name4-methyl-3-oxohex-5-ynimidamide
SMILES[H]/N=C(\N)CC(=O)C(C)C#C
InChIInChI=1S/C7H10N2O/c1-3-5(2)6(10)4-7(8)9/h1,5H,4H2,2H3,(H3,8,9)
InChIKeyAHAMPPJIEVXDLE-UHFFFAOYSA-N
XLogP0.15
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-oxohex-5-ynimidamide?
The IUPAC name of 4-methyl-3-oxohex-5-ynimidamide (CID 163419253) is 4-methyl-3-oxohex-5-ynimidamide.
What is the SMILES notation for 4-methyl-3-oxohex-5-ynimidamide?
The canonical SMILES for 4-methyl-3-oxohex-5-ynimidamide is [H]/N=C(\N)CC(=O)C(C)C#C.
What is the InChIKey of 4-methyl-3-oxohex-5-ynimidamide?
The InChIKey is AHAMPPJIEVXDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-3-5(2)6(10)4-7(8)9/h1,5H,4H2,2H3,(H3,8,9).
What are the key properties of 4-methyl-3-oxohex-5-ynimidamide?
4-methyl-3-oxohex-5-ynimidamide has a molecular weight of 138.17 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-oxohex-5-ynimidamide is sourced from PubChem (CID 163419253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).