4-decyliminopentan-2-one

C15H29NO — CID 20512963

IUPAC4-decyliminopentan-2-one
SMILESCCCCCCCCCC/N=C(\C)CC(C)=O
InChIInChI=1S/C15H29NO/c1-4-5-6-7-8-9-10-11-12-16-14(2)13-15(3)17/h4-13H2,1-3H3/b16-14+
InChIKeyCSDZLAHOHGTYIW-JQIJEIRASA-N
MW239.40 g/mol
LogP4.57
Rot. Bonds11

About 4-decyliminopentan-2-one

4-decyliminopentan-2-one (PubChem CID 20512963) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 4-decyliminopentan-2-one.

Molecular Properties

Compound Name4-decyliminopentan-2-one
PubChem CID20512963
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name4-decyliminopentan-2-one
SMILESCCCCCCCCCC/N=C(\C)CC(C)=O
InChIInChI=1S/C15H29NO/c1-4-5-6-7-8-9-10-11-12-16-14(2)13-15(3)17/h4-13H2,1-3H3/b16-14+
InChIKeyCSDZLAHOHGTYIW-JQIJEIRASA-N
XLogP4.57
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-decyliminopentan-2-one?
The IUPAC name of 4-decyliminopentan-2-one (CID 20512963) is 4-decyliminopentan-2-one.
What is the SMILES notation for 4-decyliminopentan-2-one?
The canonical SMILES for 4-decyliminopentan-2-one is CCCCCCCCCC/N=C(\C)CC(C)=O.
What is the InChIKey of 4-decyliminopentan-2-one?
The InChIKey is CSDZLAHOHGTYIW-JQIJEIRASA-N. The full InChI is InChI=1S/C15H29NO/c1-4-5-6-7-8-9-10-11-12-16-14(2)13-15(3)17/h4-13H2,1-3H3/b16-14+.
What are the key properties of 4-decyliminopentan-2-one?
4-decyliminopentan-2-one has a molecular weight of 239.40 g/mol, XLogP of 4.57, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-decyliminopentan-2-one is sourced from PubChem (CID 20512963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).