(E)-1-iminodec-7-en-5-one

C10H17NO — CID 163888940

IUPAC(E)-1-iminodec-7-en-5-one
SMILES[H]/N=C/CCCC(=O)C/C=C/CC
InChIInChI=1S/C10H17NO/c1-2-3-4-7-10(12)8-5-6-9-11/h3-4,9,11H,2,5-8H2,1H3/b4-3+,11-9+
InChIKeyPZWSFUQCRKXAIP-QRSDNQECSA-N
MW167.25 g/mol
LogP2.73
Rot. Bonds7

About (E)-1-iminodec-7-en-5-one

(E)-1-iminodec-7-en-5-one (PubChem CID 163888940) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (E)-1-iminodec-7-en-5-one.

Molecular Properties

Compound Name(E)-1-iminodec-7-en-5-one
PubChem CID163888940
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(E)-1-iminodec-7-en-5-one
SMILES[H]/N=C/CCCC(=O)C/C=C/CC
InChIInChI=1S/C10H17NO/c1-2-3-4-7-10(12)8-5-6-9-11/h3-4,9,11H,2,5-8H2,1H3/b4-3+,11-9+
InChIKeyPZWSFUQCRKXAIP-QRSDNQECSA-N
XLogP2.73
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-iminodec-7-en-5-one?
The IUPAC name of (E)-1-iminodec-7-en-5-one (CID 163888940) is (E)-1-iminodec-7-en-5-one.
What is the SMILES notation for (E)-1-iminodec-7-en-5-one?
The canonical SMILES for (E)-1-iminodec-7-en-5-one is [H]/N=C/CCCC(=O)C/C=C/CC.
What is the InChIKey of (E)-1-iminodec-7-en-5-one?
The InChIKey is PZWSFUQCRKXAIP-QRSDNQECSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-3-4-7-10(12)8-5-6-9-11/h3-4,9,11H,2,5-8H2,1H3/b4-3+,11-9+.
What are the key properties of (E)-1-iminodec-7-en-5-one?
(E)-1-iminodec-7-en-5-one has a molecular weight of 167.25 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-iminodec-7-en-5-one is sourced from PubChem (CID 163888940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).