(4E)-6-imino-4,7-dimethylocta-1,4-dien-3-one

C10H15NO — CID 155718440

IUPAC(4E)-6-imino-4,7-dimethylocta-1,4-dien-3-one
SMILES[H]/N=C(/C=C(\C)C(=O)C=C)C(C)C
InChIInChI=1S/C10H15NO/c1-5-10(12)8(4)6-9(11)7(2)3/h5-7,11H,1H2,2-4H3/b8-6+,11-9-
InChIKeyFEPWIIGTCSCQLJ-RVNZKKONSA-N
MW165.24 g/mol
LogP2.36
Rot. Bonds4

About (4E)-6-imino-4,7-dimethylocta-1,4-dien-3-one

(4E)-6-imino-4,7-dimethylocta-1,4-dien-3-one (PubChem CID 155718440) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (4E)-6-imino-4,7-dimethylocta-1,4-dien-3-one.

Molecular Properties

Compound Name(4E)-6-imino-4,7-dimethylocta-1,4-dien-3-one
PubChem CID155718440
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(4E)-6-imino-4,7-dimethylocta-1,4-dien-3-one
SMILES[H]/N=C(/C=C(\C)C(=O)C=C)C(C)C
InChIInChI=1S/C10H15NO/c1-5-10(12)8(4)6-9(11)7(2)3/h5-7,11H,1H2,2-4H3/b8-6+,11-9-
InChIKeyFEPWIIGTCSCQLJ-RVNZKKONSA-N
XLogP2.36
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E)-6-imino-4,7-dimethylocta-1,4-dien-3-one?
The IUPAC name of (4E)-6-imino-4,7-dimethylocta-1,4-dien-3-one (CID 155718440) is (4E)-6-imino-4,7-dimethylocta-1,4-dien-3-one.
What is the SMILES notation for (4E)-6-imino-4,7-dimethylocta-1,4-dien-3-one?
The canonical SMILES for (4E)-6-imino-4,7-dimethylocta-1,4-dien-3-one is [H]/N=C(/C=C(\C)C(=O)C=C)C(C)C.
What is the InChIKey of (4E)-6-imino-4,7-dimethylocta-1,4-dien-3-one?
The InChIKey is FEPWIIGTCSCQLJ-RVNZKKONSA-N. The full InChI is InChI=1S/C10H15NO/c1-5-10(12)8(4)6-9(11)7(2)3/h5-7,11H,1H2,2-4H3/b8-6+,11-9-.
What are the key properties of (4E)-6-imino-4,7-dimethylocta-1,4-dien-3-one?
(4E)-6-imino-4,7-dimethylocta-1,4-dien-3-one has a molecular weight of 165.24 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-6-imino-4,7-dimethylocta-1,4-dien-3-one is sourced from PubChem (CID 155718440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).