(E)-5-(diethylamino)pent-3-en-2-one

C9H17NO — CID 14765500

IUPAC(E)-5-(diethylamino)pent-3-en-2-one
SMILESCCN(CC)C/C=C/C(C)=O
InChIInChI=1S/C9H17NO/c1-4-10(5-2)8-6-7-9(3)11/h6-7H,4-5,8H2,1-3H3/b7-6+
InChIKeyVOSXRWNJQJWXQD-VOTSOKGWSA-N
MW155.24 g/mol
LogP1.47
Rot. Bonds5

About (E)-5-(diethylamino)pent-3-en-2-one

(E)-5-(diethylamino)pent-3-en-2-one (PubChem CID 14765500) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (E)-5-(diethylamino)pent-3-en-2-one.

Molecular Properties

Compound Name(E)-5-(diethylamino)pent-3-en-2-one
PubChem CID14765500
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(E)-5-(diethylamino)pent-3-en-2-one
SMILESCCN(CC)C/C=C/C(C)=O
InChIInChI=1S/C9H17NO/c1-4-10(5-2)8-6-7-9(3)11/h6-7H,4-5,8H2,1-3H3/b7-6+
InChIKeyVOSXRWNJQJWXQD-VOTSOKGWSA-N
XLogP1.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.47
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 (E)-5-(diethylamino)pent-3-en-2-one?
The IUPAC name of (E)-5-(diethylamino)pent-3-en-2-one (CID 14765500) is (E)-5-(diethylamino)pent-3-en-2-one.
What is the SMILES notation for (E)-5-(diethylamino)pent-3-en-2-one?
The canonical SMILES for (E)-5-(diethylamino)pent-3-en-2-one is CCN(CC)C/C=C/C(C)=O.
What is the InChIKey of (E)-5-(diethylamino)pent-3-en-2-one?
The InChIKey is VOSXRWNJQJWXQD-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-10(5-2)8-6-7-9(3)11/h6-7H,4-5,8H2,1-3H3/b7-6+.
What are the key properties of (E)-5-(diethylamino)pent-3-en-2-one?
(E)-5-(diethylamino)pent-3-en-2-one has a molecular weight of 155.24 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(diethylamino)pent-3-en-2-one is sourced from PubChem (CID 14765500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).