4-propan-2-yliminopentan-2-one

C8H15NO — CID 20512964

IUPAC4-propan-2-yliminopentan-2-one
SMILESCC(=O)C/C(C)=N/C(C)C
InChIInChI=1S/C8H15NO/c1-6(2)9-7(3)5-8(4)10/h6H,5H2,1-4H3/b9-7+
InChIKeyRYFJKGWMVVZSLH-VQHVLOKHSA-N
MW141.21 g/mol
LogP1.83
Rot. Bonds3

About 4-propan-2-yliminopentan-2-one

4-propan-2-yliminopentan-2-one (PubChem CID 20512964) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 4-propan-2-yliminopentan-2-one.

Molecular Properties

Compound Name4-propan-2-yliminopentan-2-one
PubChem CID20512964
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name4-propan-2-yliminopentan-2-one
SMILESCC(=O)C/C(C)=N/C(C)C
InChIInChI=1S/C8H15NO/c1-6(2)9-7(3)5-8(4)10/h6H,5H2,1-4H3/b9-7+
InChIKeyRYFJKGWMVVZSLH-VQHVLOKHSA-N
XLogP1.83
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yliminopentan-2-one?
The IUPAC name of 4-propan-2-yliminopentan-2-one (CID 20512964) is 4-propan-2-yliminopentan-2-one.
What is the SMILES notation for 4-propan-2-yliminopentan-2-one?
The canonical SMILES for 4-propan-2-yliminopentan-2-one is CC(=O)C/C(C)=N/C(C)C.
What is the InChIKey of 4-propan-2-yliminopentan-2-one?
The InChIKey is RYFJKGWMVVZSLH-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H15NO/c1-6(2)9-7(3)5-8(4)10/h6H,5H2,1-4H3/b9-7+.
What are the key properties of 4-propan-2-yliminopentan-2-one?
4-propan-2-yliminopentan-2-one has a molecular weight of 141.21 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yliminopentan-2-one is sourced from PubChem (CID 20512964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).