5-(ethylamino)hex-5-en-2-one

C8H15NO — CID 170972328

IUPAC5-(ethylamino)hex-5-en-2-one
SMILESC=C(CCC(C)=O)NCC
InChIInChI=1S/C8H15NO/c1-4-9-7(2)5-6-8(3)10/h9H,2,4-6H2,1,3H3
InChIKeyAOJAHZRQKNWUDH-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.48
Rot. Bonds5

About 5-(ethylamino)hex-5-en-2-one

5-(ethylamino)hex-5-en-2-one (PubChem CID 170972328) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 5-(ethylamino)hex-5-en-2-one.

Molecular Properties

Compound Name5-(ethylamino)hex-5-en-2-one
PubChem CID170972328
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name5-(ethylamino)hex-5-en-2-one
SMILESC=C(CCC(C)=O)NCC
InChIInChI=1S/C8H15NO/c1-4-9-7(2)5-6-8(3)10/h9H,2,4-6H2,1,3H3
InChIKeyAOJAHZRQKNWUDH-UHFFFAOYSA-N
XLogP1.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)hex-5-en-2-one?
The IUPAC name of 5-(ethylamino)hex-5-en-2-one (CID 170972328) is 5-(ethylamino)hex-5-en-2-one.
What is the SMILES notation for 5-(ethylamino)hex-5-en-2-one?
The canonical SMILES for 5-(ethylamino)hex-5-en-2-one is C=C(CCC(C)=O)NCC.
What is the InChIKey of 5-(ethylamino)hex-5-en-2-one?
The InChIKey is AOJAHZRQKNWUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-9-7(2)5-6-8(3)10/h9H,2,4-6H2,1,3H3.
What are the key properties of 5-(ethylamino)hex-5-en-2-one?
5-(ethylamino)hex-5-en-2-one has a molecular weight of 141.21 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)hex-5-en-2-one is sourced from PubChem (CID 170972328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).