(E)-7-aminooct-3-en-2-one

C8H15NO — CID 88958565

IUPAC(E)-7-aminooct-3-en-2-one
SMILESCC(=O)/C=C/CCC(C)N
InChIInChI=1S/C8H15NO/c1-7(9)5-3-4-6-8(2)10/h4,6-7H,3,5,9H2,1-2H3/b6-4+
InChIKeyUZPZQCJIZBVASD-GQCTYLIASA-N
MW141.21 g/mol
LogP1.26
Rot. Bonds4

About (E)-7-aminooct-3-en-2-one

(E)-7-aminooct-3-en-2-one (PubChem CID 88958565) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (E)-7-aminooct-3-en-2-one.

Molecular Properties

Compound Name(E)-7-aminooct-3-en-2-one
PubChem CID88958565
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(E)-7-aminooct-3-en-2-one
SMILESCC(=O)/C=C/CCC(C)N
InChIInChI=1S/C8H15NO/c1-7(9)5-3-4-6-8(2)10/h4,6-7H,3,5,9H2,1-2H3/b6-4+
InChIKeyUZPZQCJIZBVASD-GQCTYLIASA-N
XLogP1.26
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.26
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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Frequently Asked Questions

What is the IUPAC name of (E)-7-aminooct-3-en-2-one?
The IUPAC name of (E)-7-aminooct-3-en-2-one (CID 88958565) is (E)-7-aminooct-3-en-2-one.
What is the SMILES notation for (E)-7-aminooct-3-en-2-one?
The canonical SMILES for (E)-7-aminooct-3-en-2-one is CC(=O)/C=C/CCC(C)N.
What is the InChIKey of (E)-7-aminooct-3-en-2-one?
The InChIKey is UZPZQCJIZBVASD-GQCTYLIASA-N. The full InChI is InChI=1S/C8H15NO/c1-7(9)5-3-4-6-8(2)10/h4,6-7H,3,5,9H2,1-2H3/b6-4+.
What are the key properties of (E)-7-aminooct-3-en-2-one?
(E)-7-aminooct-3-en-2-one has a molecular weight of 141.21 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-aminooct-3-en-2-one is sourced from PubChem (CID 88958565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).