ethane;(E)-5-(2-methoxyethylamino)pent-3-en-2-one

C10H21NO2 — CID 142388398

IUPACethane;(E)-5-(2-methoxyethylamino)pent-3-en-2-one
SMILESCC.COCCNC/C=C/C(C)=O
InChIInChI=1S/C8H15NO2.C2H6/c1-8(10)4-3-5-9-6-7-11-2;1-2/h3-4,9H,5-7H2,1-2H3;1-2H3/b4-3+;
InChIKeyBNFCIJJIWKZNGW-BJILWQEISA-N
MW187.28 g/mol
LogP1.39
Rot. Bonds6

About ethane;(E)-5-(2-methoxyethylamino)pent-3-en-2-one

ethane;(E)-5-(2-methoxyethylamino)pent-3-en-2-one (PubChem CID 142388398) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is ethane;(E)-5-(2-methoxyethylamino)pent-3-en-2-one.

Molecular Properties

Compound Nameethane;(E)-5-(2-methoxyethylamino)pent-3-en-2-one
PubChem CID142388398
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Nameethane;(E)-5-(2-methoxyethylamino)pent-3-en-2-one
SMILESCC.COCCNC/C=C/C(C)=O
InChIInChI=1S/C8H15NO2.C2H6/c1-8(10)4-3-5-9-6-7-11-2;1-2/h3-4,9H,5-7H2,1-2H3;1-2H3/b4-3+;
InChIKeyBNFCIJJIWKZNGW-BJILWQEISA-N
XLogP1.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;(E)-5-(2-methoxyethylamino)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

Frequently Asked Questions

What is the IUPAC name of ethane;(E)-5-(2-methoxyethylamino)pent-3-en-2-one?
The IUPAC name of ethane;(E)-5-(2-methoxyethylamino)pent-3-en-2-one (CID 142388398) is ethane;(E)-5-(2-methoxyethylamino)pent-3-en-2-one.
What is the SMILES notation for ethane;(E)-5-(2-methoxyethylamino)pent-3-en-2-one?
The canonical SMILES for ethane;(E)-5-(2-methoxyethylamino)pent-3-en-2-one is CC.COCCNC/C=C/C(C)=O.
What is the InChIKey of ethane;(E)-5-(2-methoxyethylamino)pent-3-en-2-one?
The InChIKey is BNFCIJJIWKZNGW-BJILWQEISA-N. The full InChI is InChI=1S/C8H15NO2.C2H6/c1-8(10)4-3-5-9-6-7-11-2;1-2/h3-4,9H,5-7H2,1-2H3;1-2H3/b4-3+;.
What are the key properties of ethane;(E)-5-(2-methoxyethylamino)pent-3-en-2-one?
ethane;(E)-5-(2-methoxyethylamino)pent-3-en-2-one has a molecular weight of 187.28 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-5-(2-methoxyethylamino)pent-3-en-2-one is sourced from PubChem (CID 142388398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).