(Z)-4-methylimino-6-propylnon-2-en-5-one

C13H23NO — CID 144956093

IUPAC(Z)-4-methylimino-6-propylnon-2-en-5-one
SMILESC/C=C\C(=N/C)C(=O)C(CCC)CCC
InChIInChI=1S/C13H23NO/c1-5-8-11(9-6-2)13(15)12(14-4)10-7-3/h7,10-11H,5-6,8-9H2,1-4H3/b10-7-,14-12+
InChIKeyBKWXYDHOWIAQQG-QRVYLYQGSA-N
MW209.33 g/mol
LogP3.42
Rot. Bonds7

About (Z)-4-methylimino-6-propylnon-2-en-5-one

(Z)-4-methylimino-6-propylnon-2-en-5-one (PubChem CID 144956093) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (Z)-4-methylimino-6-propylnon-2-en-5-one.

Molecular Properties

Compound Name(Z)-4-methylimino-6-propylnon-2-en-5-one
PubChem CID144956093
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(Z)-4-methylimino-6-propylnon-2-en-5-one
SMILESC/C=C\C(=N/C)C(=O)C(CCC)CCC
InChIInChI=1S/C13H23NO/c1-5-8-11(9-6-2)13(15)12(14-4)10-7-3/h7,10-11H,5-6,8-9H2,1-4H3/b10-7-,14-12+
InChIKeyBKWXYDHOWIAQQG-QRVYLYQGSA-N
XLogP3.42
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.42
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'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-methylimino-6-propylnon-2-en-5-one?
The IUPAC name of (Z)-4-methylimino-6-propylnon-2-en-5-one (CID 144956093) is (Z)-4-methylimino-6-propylnon-2-en-5-one.
What is the SMILES notation for (Z)-4-methylimino-6-propylnon-2-en-5-one?
The canonical SMILES for (Z)-4-methylimino-6-propylnon-2-en-5-one is C/C=C\C(=N/C)C(=O)C(CCC)CCC.
What is the InChIKey of (Z)-4-methylimino-6-propylnon-2-en-5-one?
The InChIKey is BKWXYDHOWIAQQG-QRVYLYQGSA-N. The full InChI is InChI=1S/C13H23NO/c1-5-8-11(9-6-2)13(15)12(14-4)10-7-3/h7,10-11H,5-6,8-9H2,1-4H3/b10-7-,14-12+.
What are the key properties of (Z)-4-methylimino-6-propylnon-2-en-5-one?
(Z)-4-methylimino-6-propylnon-2-en-5-one has a molecular weight of 209.33 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methylimino-6-propylnon-2-en-5-one is sourced from PubChem (CID 144956093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).