4-(3-methylbutan-2-ylimino)pentan-2-one

C10H19NO — CID 90322524

IUPAC4-(3-methylbutan-2-ylimino)pentan-2-one
SMILESCC(=O)C/C(C)=N/C(C)C(C)C
InChIInChI=1S/C10H19NO/c1-7(2)10(5)11-8(3)6-9(4)12/h7,10H,6H2,1-5H3/b11-8+
InChIKeyHGHGMMBDJUFQTQ-DHZHZOJOSA-N
MW169.27 g/mol
LogP2.47
Rot. Bonds4

About 4-(3-methylbutan-2-ylimino)pentan-2-one

4-(3-methylbutan-2-ylimino)pentan-2-one (PubChem CID 90322524) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-(3-methylbutan-2-ylimino)pentan-2-one.

Molecular Properties

Compound Name4-(3-methylbutan-2-ylimino)pentan-2-one
PubChem CID90322524
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-(3-methylbutan-2-ylimino)pentan-2-one
SMILESCC(=O)C/C(C)=N/C(C)C(C)C
InChIInChI=1S/C10H19NO/c1-7(2)10(5)11-8(3)6-9(4)12/h7,10H,6H2,1-5H3/b11-8+
InChIKeyHGHGMMBDJUFQTQ-DHZHZOJOSA-N
XLogP2.47
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.47
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-(3-methylbutan-2-ylimino)pentan-2-one?
The IUPAC name of 4-(3-methylbutan-2-ylimino)pentan-2-one (CID 90322524) is 4-(3-methylbutan-2-ylimino)pentan-2-one.
What is the SMILES notation for 4-(3-methylbutan-2-ylimino)pentan-2-one?
The canonical SMILES for 4-(3-methylbutan-2-ylimino)pentan-2-one is CC(=O)C/C(C)=N/C(C)C(C)C.
What is the InChIKey of 4-(3-methylbutan-2-ylimino)pentan-2-one?
The InChIKey is HGHGMMBDJUFQTQ-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H19NO/c1-7(2)10(5)11-8(3)6-9(4)12/h7,10H,6H2,1-5H3/b11-8+.
What are the key properties of 4-(3-methylbutan-2-ylimino)pentan-2-one?
4-(3-methylbutan-2-ylimino)pentan-2-one has a molecular weight of 169.27 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutan-2-ylimino)pentan-2-one is sourced from PubChem (CID 90322524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).