5-(diethylamino)-2-methylpent-1-en-3-one

C10H19NO — CID 18510002

IUPAC5-(diethylamino)-2-methylpent-1-en-3-one
SMILESC=C(C)C(=O)CCN(CC)CC
InChIInChI=1S/C10H19NO/c1-5-11(6-2)8-7-10(12)9(3)4/h3,5-8H2,1-2,4H3
InChIKeyYECYEVVQGBEXTB-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.86
Rot. Bonds6

About 5-(diethylamino)-2-methylpent-1-en-3-one

5-(diethylamino)-2-methylpent-1-en-3-one (PubChem CID 18510002) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 5-(diethylamino)-2-methylpent-1-en-3-one.

Molecular Properties

Compound Name5-(diethylamino)-2-methylpent-1-en-3-one
PubChem CID18510002
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name5-(diethylamino)-2-methylpent-1-en-3-one
SMILESC=C(C)C(=O)CCN(CC)CC
InChIInChI=1S/C10H19NO/c1-5-11(6-2)8-7-10(12)9(3)4/h3,5-8H2,1-2,4H3
InChIKeyYECYEVVQGBEXTB-UHFFFAOYSA-N
XLogP1.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.86
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 5-(diethylamino)-2-methylpent-1-en-3-one?
The IUPAC name of 5-(diethylamino)-2-methylpent-1-en-3-one (CID 18510002) is 5-(diethylamino)-2-methylpent-1-en-3-one.
What is the SMILES notation for 5-(diethylamino)-2-methylpent-1-en-3-one?
The canonical SMILES for 5-(diethylamino)-2-methylpent-1-en-3-one is C=C(C)C(=O)CCN(CC)CC.
What is the InChIKey of 5-(diethylamino)-2-methylpent-1-en-3-one?
The InChIKey is YECYEVVQGBEXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-11(6-2)8-7-10(12)9(3)4/h3,5-8H2,1-2,4H3.
What are the key properties of 5-(diethylamino)-2-methylpent-1-en-3-one?
5-(diethylamino)-2-methylpent-1-en-3-one has a molecular weight of 169.27 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-methylpent-1-en-3-one is sourced from PubChem (CID 18510002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).