(E)-6-methyl-4-methyliminooct-5-en-3-one

C10H17NO — CID 144720703

IUPAC(E)-6-methyl-4-methyliminooct-5-en-3-one
SMILESCCC(=O)C(/C=C(\C)CC)=N\C
InChIInChI=1S/C10H17NO/c1-5-8(3)7-9(11-4)10(12)6-2/h7H,5-6H2,1-4H3/b8-7+,11-9-
InChIKeyCZRHTSWBCZYRCB-OHFYBLQUSA-N
MW167.25 g/mol
LogP2.39
Rot. Bonds4

About (E)-6-methyl-4-methyliminooct-5-en-3-one

(E)-6-methyl-4-methyliminooct-5-en-3-one (PubChem CID 144720703) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (E)-6-methyl-4-methyliminooct-5-en-3-one.

Molecular Properties

Compound Name(E)-6-methyl-4-methyliminooct-5-en-3-one
PubChem CID144720703
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(E)-6-methyl-4-methyliminooct-5-en-3-one
SMILESCCC(=O)C(/C=C(\C)CC)=N\C
InChIInChI=1S/C10H17NO/c1-5-8(3)7-9(11-4)10(12)6-2/h7H,5-6H2,1-4H3/b8-7+,11-9-
InChIKeyCZRHTSWBCZYRCB-OHFYBLQUSA-N
XLogP2.39
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (E)-6-methyl-4-methyliminooct-5-en-3-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 (E)-6-methyl-4-methyliminooct-5-en-3-one?
The IUPAC name of (E)-6-methyl-4-methyliminooct-5-en-3-one (CID 144720703) is (E)-6-methyl-4-methyliminooct-5-en-3-one.
What is the SMILES notation for (E)-6-methyl-4-methyliminooct-5-en-3-one?
The canonical SMILES for (E)-6-methyl-4-methyliminooct-5-en-3-one is CCC(=O)C(/C=C(\C)CC)=N\C.
What is the InChIKey of (E)-6-methyl-4-methyliminooct-5-en-3-one?
The InChIKey is CZRHTSWBCZYRCB-OHFYBLQUSA-N. The full InChI is InChI=1S/C10H17NO/c1-5-8(3)7-9(11-4)10(12)6-2/h7H,5-6H2,1-4H3/b8-7+,11-9-.
What are the key properties of (E)-6-methyl-4-methyliminooct-5-en-3-one?
(E)-6-methyl-4-methyliminooct-5-en-3-one has a molecular weight of 167.25 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-methyl-4-methyliminooct-5-en-3-one is sourced from PubChem (CID 144720703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).