(5E)-3-imino-6,10-dimethylundeca-5,9-dien-2-one

C13H21NO — CID 88814103

IUPAC(5E)-3-imino-6,10-dimethylundeca-5,9-dien-2-one
SMILES[H]/N=C(\C/C=C(\C)CCC=C(C)C)C(C)=O
InChIInChI=1S/C13H21NO/c1-10(2)6-5-7-11(3)8-9-13(14)12(4)15/h6,8,14H,5,7,9H2,1-4H3/b11-8+,14-13+
InChIKeyGIHSGYNQLRQUAH-ZOBWXTBZSA-N
MW207.32 g/mol
LogP3.68
Rot. Bonds6

About (5E)-3-imino-6,10-dimethylundeca-5,9-dien-2-one

(5E)-3-imino-6,10-dimethylundeca-5,9-dien-2-one (PubChem CID 88814103) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (5E)-3-imino-6,10-dimethylundeca-5,9-dien-2-one.

Molecular Properties

Compound Name(5E)-3-imino-6,10-dimethylundeca-5,9-dien-2-one
PubChem CID88814103
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(5E)-3-imino-6,10-dimethylundeca-5,9-dien-2-one
SMILES[H]/N=C(\C/C=C(\C)CCC=C(C)C)C(C)=O
InChIInChI=1S/C13H21NO/c1-10(2)6-5-7-11(3)8-9-13(14)12(4)15/h6,8,14H,5,7,9H2,1-4H3/b11-8+,14-13+
InChIKeyGIHSGYNQLRQUAH-ZOBWXTBZSA-N
XLogP3.68
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.68
H-Bond Donors ≤ 51
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-3-imino-6,10-dimethylundeca-5,9-dien-2-one?
The IUPAC name of (5E)-3-imino-6,10-dimethylundeca-5,9-dien-2-one (CID 88814103) is (5E)-3-imino-6,10-dimethylundeca-5,9-dien-2-one.
What is the SMILES notation for (5E)-3-imino-6,10-dimethylundeca-5,9-dien-2-one?
The canonical SMILES for (5E)-3-imino-6,10-dimethylundeca-5,9-dien-2-one is [H]/N=C(\C/C=C(\C)CCC=C(C)C)C(C)=O.
What is the InChIKey of (5E)-3-imino-6,10-dimethylundeca-5,9-dien-2-one?
The InChIKey is GIHSGYNQLRQUAH-ZOBWXTBZSA-N. The full InChI is InChI=1S/C13H21NO/c1-10(2)6-5-7-11(3)8-9-13(14)12(4)15/h6,8,14H,5,7,9H2,1-4H3/b11-8+,14-13+.
What are the key properties of (5E)-3-imino-6,10-dimethylundeca-5,9-dien-2-one?
(5E)-3-imino-6,10-dimethylundeca-5,9-dien-2-one has a molecular weight of 207.32 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-imino-6,10-dimethylundeca-5,9-dien-2-one is sourced from PubChem (CID 88814103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).