(E)-4-(butylamino)pent-3-en-2-one

C9H17NO — CID 11263625

IUPAC(E)-4-(butylamino)pent-3-en-2-one
SMILESCCCCN/C(C)=C/C(C)=O
InChIInChI=1S/C9H17NO/c1-4-5-6-10-8(2)7-9(3)11/h7,10H,4-6H2,1-3H3/b8-7+
InChIKeyRTMIIQLXVWJCJT-BQYQJAHWSA-N
MW155.24 g/mol
LogP1.87
Rot. Bonds5

About (E)-4-(butylamino)pent-3-en-2-one

(E)-4-(butylamino)pent-3-en-2-one (PubChem CID 11263625) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (E)-4-(butylamino)pent-3-en-2-one.

Molecular Properties

Compound Name(E)-4-(butylamino)pent-3-en-2-one
PubChem CID11263625
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(E)-4-(butylamino)pent-3-en-2-one
SMILESCCCCN/C(C)=C/C(C)=O
InChIInChI=1S/C9H17NO/c1-4-5-6-10-8(2)7-9(3)11/h7,10H,4-6H2,1-3H3/b8-7+
InChIKeyRTMIIQLXVWJCJT-BQYQJAHWSA-N
XLogP1.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.87
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'}

Analyze (E)-4-(butylamino)pent-3-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-Bis(butylamino)cyclohexa-2,5-diene-1,4-dione
CID 233566
3-Penten-2-one, 4,4'-(1,2-ethanediyldiimino)bis-, (3Z,3'Z)-
CID 5462863
p-Benzoquinone, 2-((4-(diethylamino)butyl)amino)-5-(methylamino)-
CID 3063568
2,5-Bis(propylamino)cyclohexa-2,5-diene-1,4-dione
CID 2262761
(Z)-4-(methylamino)pent-3-en-2-one
CID 5379102
(3Z)-4-[(propan-2-yl)amino]pent-3-en-2-one
CID 11275054
4-Ethylaminopent-3-EN-2-one
CID 11804773
(Z)-4-Isobutylamino-pent-3-en-2-one
CID 12595741
(Z)-4-Propylamino-pent-3-en-2-one
CID 12609387
(E)-4-[2-[[(E)-4-oxopent-2-en-2-yl]amino]ethylamino]pent-3-en-2-one
CID 5715222
(z)-4-Ethylamino-1,1,1-trifluoro-3-penten-2-one
CID 129706900
4-[2-(1-Methyl-3-oxo-but-1-enylamino)-ethylamino]-pent-3-en-2-one
CID 157818

Frequently Asked Questions

What is the IUPAC name of (E)-4-(butylamino)pent-3-en-2-one?
The IUPAC name of (E)-4-(butylamino)pent-3-en-2-one (CID 11263625) is (E)-4-(butylamino)pent-3-en-2-one.
What is the SMILES notation for (E)-4-(butylamino)pent-3-en-2-one?
The canonical SMILES for (E)-4-(butylamino)pent-3-en-2-one is CCCCN/C(C)=C/C(C)=O.
What is the InChIKey of (E)-4-(butylamino)pent-3-en-2-one?
The InChIKey is RTMIIQLXVWJCJT-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-5-6-10-8(2)7-9(3)11/h7,10H,4-6H2,1-3H3/b8-7+.
What are the key properties of (E)-4-(butylamino)pent-3-en-2-one?
(E)-4-(butylamino)pent-3-en-2-one has a molecular weight of 155.24 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(butylamino)pent-3-en-2-one is sourced from PubChem (CID 11263625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).