1-(ethylamino)-5-methylhex-5-en-2-one

C9H17NO — CID 114477907

IUPAC1-(ethylamino)-5-methylhex-5-en-2-one
SMILESC=C(C)CCC(=O)CNCC
InChIInChI=1S/C9H17NO/c1-4-10-7-9(11)6-5-8(2)3/h10H,2,4-7H2,1,3H3
InChIKeyJGPOTWPYGCUBPX-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.52
Rot. Bonds6

About 1-(ethylamino)-5-methylhex-5-en-2-one

1-(ethylamino)-5-methylhex-5-en-2-one (PubChem CID 114477907) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-(ethylamino)-5-methylhex-5-en-2-one.

Molecular Properties

Compound Name1-(ethylamino)-5-methylhex-5-en-2-one
PubChem CID114477907
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-(ethylamino)-5-methylhex-5-en-2-one
SMILESC=C(C)CCC(=O)CNCC
InChIInChI=1S/C9H17NO/c1-4-10-7-9(11)6-5-8(2)3/h10H,2,4-7H2,1,3H3
InChIKeyJGPOTWPYGCUBPX-UHFFFAOYSA-N
XLogP1.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-5-methylhex-5-en-2-one?
The IUPAC name of 1-(ethylamino)-5-methylhex-5-en-2-one (CID 114477907) is 1-(ethylamino)-5-methylhex-5-en-2-one.
What is the SMILES notation for 1-(ethylamino)-5-methylhex-5-en-2-one?
The canonical SMILES for 1-(ethylamino)-5-methylhex-5-en-2-one is C=C(C)CCC(=O)CNCC.
What is the InChIKey of 1-(ethylamino)-5-methylhex-5-en-2-one?
The InChIKey is JGPOTWPYGCUBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-10-7-9(11)6-5-8(2)3/h10H,2,4-7H2,1,3H3.
What are the key properties of 1-(ethylamino)-5-methylhex-5-en-2-one?
1-(ethylamino)-5-methylhex-5-en-2-one has a molecular weight of 155.24 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-5-methylhex-5-en-2-one is sourced from PubChem (CID 114477907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).