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

C8H15NO — CID 22082149

IUPAC5-(ethylamino)-2-methylpent-1-en-3-one
SMILESC=C(C)C(=O)CCNCC
InChIInChI=1S/C8H15NO/c1-4-9-6-5-8(10)7(2)3/h9H,2,4-6H2,1,3H3
InChIKeyCQOBSZAAZQBYBX-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.13
Rot. Bonds5

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

5-(ethylamino)-2-methylpent-1-en-3-one (PubChem CID 22082149) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 5-(ethylamino)-2-methylpent-1-en-3-one.

Molecular Properties

Compound Name5-(ethylamino)-2-methylpent-1-en-3-one
PubChem CID22082149
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name5-(ethylamino)-2-methylpent-1-en-3-one
SMILESC=C(C)C(=O)CCNCC
InChIInChI=1S/C8H15NO/c1-4-9-6-5-8(10)7(2)3/h9H,2,4-6H2,1,3H3
InChIKeyCQOBSZAAZQBYBX-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Methylene-4-piperidone
CID 68064658
5-(Dimethylamino)-2-methylpent-1-en-3-one
CID 18510003
(2-Methacryloylethyl)dimethylammonium bromide
CID 129717048
3,5-Dimethylene-4-piperidone
CID 129793476
5-Amino-2-methylpent-1-en-3-one
CID 9793731
5-(Diethylamino)-2-methylpent-1-en-3-one
CID 18510002
N-(4-methyl-3-oxopent-4-enyl)acetamide
CID 20767189
1-(1,2,3,6-Tetrahydropyridin-5-yl)propan-1-one
CID 21284371
Diethyl-methyl-(4-methyl-3-oxopent-4-enyl)azanium
CID 23154910
N-(4-methyl-3-oxopent-4-enyl)prop-2-enamide
CID 53656436
3-Methyl-1-(propylamino)but-3-en-2-one
CID 54363141
2-methyl-N-(4-methyl-3-oxopent-4-enyl)propanamide
CID 58330226

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-2-methylpent-1-en-3-one?
The IUPAC name of 5-(ethylamino)-2-methylpent-1-en-3-one (CID 22082149) is 5-(ethylamino)-2-methylpent-1-en-3-one.
What is the SMILES notation for 5-(ethylamino)-2-methylpent-1-en-3-one?
The canonical SMILES for 5-(ethylamino)-2-methylpent-1-en-3-one is C=C(C)C(=O)CCNCC.
What is the InChIKey of 5-(ethylamino)-2-methylpent-1-en-3-one?
The InChIKey is CQOBSZAAZQBYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-9-6-5-8(10)7(2)3/h9H,2,4-6H2,1,3H3.
What are the key properties of 5-(ethylamino)-2-methylpent-1-en-3-one?
5-(ethylamino)-2-methylpent-1-en-3-one has a molecular weight of 141.21 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-2-methylpent-1-en-3-one is sourced from PubChem (CID 22082149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).