4-(diethylamino)pent-3-en-2-one

C9H17NO — CID 54152898

IUPAC4-(diethylamino)pent-3-en-2-one
SMILESCCN(CC)C(C)=CC(C)=O
InChIInChI=1S/C9H17NO/c1-5-10(6-2)8(3)7-9(4)11/h7H,5-6H2,1-4H3
InChIKeyOIZAZTWQMPFILE-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.82
Rot. Bonds4

About 4-(diethylamino)pent-3-en-2-one

4-(diethylamino)pent-3-en-2-one (PubChem CID 54152898) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 4-(diethylamino)pent-3-en-2-one.

Molecular Properties

Compound Name4-(diethylamino)pent-3-en-2-one
PubChem CID54152898
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name4-(diethylamino)pent-3-en-2-one
SMILESCCN(CC)C(C)=CC(C)=O
InChIInChI=1S/C9H17NO/c1-5-10(6-2)8(3)7-9(4)11/h7H,5-6H2,1-4H3
InChIKeyOIZAZTWQMPFILE-UHFFFAOYSA-N
XLogP1.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)pent-3-en-2-one?
The IUPAC name of 4-(diethylamino)pent-3-en-2-one (CID 54152898) is 4-(diethylamino)pent-3-en-2-one.
What is the SMILES notation for 4-(diethylamino)pent-3-en-2-one?
The canonical SMILES for 4-(diethylamino)pent-3-en-2-one is CCN(CC)C(C)=CC(C)=O.
What is the InChIKey of 4-(diethylamino)pent-3-en-2-one?
The InChIKey is OIZAZTWQMPFILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-10(6-2)8(3)7-9(4)11/h7H,5-6H2,1-4H3.
What are the key properties of 4-(diethylamino)pent-3-en-2-one?
4-(diethylamino)pent-3-en-2-one has a molecular weight of 155.24 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)pent-3-en-2-one is sourced from PubChem (CID 54152898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).