5-(ethylamino)-4-methylpent-1-en-3-one

C8H15NO — CID 116565247

IUPAC5-(ethylamino)-4-methylpent-1-en-3-one
SMILESC=CC(=O)C(C)CNCC
InChIInChI=1S/C8H15NO/c1-4-8(10)7(3)6-9-5-2/h4,7,9H,1,5-6H2,2-3H3
InChIKeyKIWIIEIOHPSOFJ-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.99
Rot. Bonds5

About 5-(ethylamino)-4-methylpent-1-en-3-one

5-(ethylamino)-4-methylpent-1-en-3-one (PubChem CID 116565247) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 5-(ethylamino)-4-methylpent-1-en-3-one.

Molecular Properties

Compound Name5-(ethylamino)-4-methylpent-1-en-3-one
PubChem CID116565247
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name5-(ethylamino)-4-methylpent-1-en-3-one
SMILESC=CC(=O)C(C)CNCC
InChIInChI=1S/C8H15NO/c1-4-8(10)7(3)6-9-5-2/h4,7,9H,1,5-6H2,2-3H3
InChIKeyKIWIIEIOHPSOFJ-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methylhex-1-en-3-one
CID 15724302
3-(ethylamino)-2-methyl-N-propan-2-ylpropanamide
CID 62853402
3-(ethylamino)-2-methyl-N,N-bis(prop-2-enyl)propanamide
CID 62853954
3-(ethylamino)-2-methylpropanamide
CID 43311981
methyl 3-(ethylamino)-2-methylpropanoate
CID 3889298
1-(ethylamino)-2,5-dimethylhex-5-en-3-one
CID 116565362
3-(ethylamino)-2-methyl-N-(2-methylpropyl)propanamide
CID 62853586
3-(ethylamino)-2-methyl-N-(2-prop-2-enylsulfanylethyl)propanamide
CID 106427513
1-(ethylamino)-2-methyl-6-methylsulfonylhexan-3-one
CID 116565200
4-methylnon-1-en-3-one
CID 24974485
2-[[3-(ethylamino)-2-methylpropanoyl]amino]pentanoic acid
CID 62837131
2-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-methylbutanamide
CID 106344993

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-4-methylpent-1-en-3-one?
The IUPAC name of 5-(ethylamino)-4-methylpent-1-en-3-one (CID 116565247) is 5-(ethylamino)-4-methylpent-1-en-3-one.
What is the SMILES notation for 5-(ethylamino)-4-methylpent-1-en-3-one?
The canonical SMILES for 5-(ethylamino)-4-methylpent-1-en-3-one is C=CC(=O)C(C)CNCC.
What is the InChIKey of 5-(ethylamino)-4-methylpent-1-en-3-one?
The InChIKey is KIWIIEIOHPSOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-8(10)7(3)6-9-5-2/h4,7,9H,1,5-6H2,2-3H3.
What are the key properties of 5-(ethylamino)-4-methylpent-1-en-3-one?
5-(ethylamino)-4-methylpent-1-en-3-one has a molecular weight of 141.21 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-4-methylpent-1-en-3-one is sourced from PubChem (CID 116565247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).