(7Z)-7-(methylaminomethylidene)nonane-2,6-dione

C11H19NO2 — CID 166959865

IUPAC(7Z)-7-(methylaminomethylidene)nonane-2,6-dione
SMILESCC/C(=C/NC)C(=O)CCCC(C)=O
InChIInChI=1S/C11H19NO2/c1-4-10(8-12-3)11(14)7-5-6-9(2)13/h8,12H,4-7H2,1-3H3/b10-8-
InChIKeyJNRQSHSQXAYEGD-NTMALXAHSA-N
MW197.28 g/mol
LogP1.83
Rot. Bonds7

About (7Z)-7-(methylaminomethylidene)nonane-2,6-dione

(7Z)-7-(methylaminomethylidene)nonane-2,6-dione (PubChem CID 166959865) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (7Z)-7-(methylaminomethylidene)nonane-2,6-dione.

Molecular Properties

Compound Name(7Z)-7-(methylaminomethylidene)nonane-2,6-dione
PubChem CID166959865
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(7Z)-7-(methylaminomethylidene)nonane-2,6-dione
SMILESCC/C(=C/NC)C(=O)CCCC(C)=O
InChIInChI=1S/C11H19NO2/c1-4-10(8-12-3)11(14)7-5-6-9(2)13/h8,12H,4-7H2,1-3H3/b10-8-
InChIKeyJNRQSHSQXAYEGD-NTMALXAHSA-N
XLogP1.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dotriactane-2,7,8,13,14,19,20,25,26,31,32,37,38,43,44,49,50,55,56,61,62,67,68,73,74,79,80,85,86,91,92,97,98,103,104,109,110,115,116,121,122,127,128,133,134,139,140,145,146,151,152,157,158,163,164,169,170,175,176,181,182,187,188,193,194,199,200,205,206,211,212,217,218,223,224,229,230,235,236,241,242,247,248,253,254,259,260,265,266,271,272,277,278,283,284,289,290,295,296,301-hectone
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N-methylmethanamine;5-oxohexanal
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6-ethyldec-6-ene-2,5-dione
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nonadecane-2,6,10,14,18-pentone
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(Z)-6-amino-7-hydrazinylhept-6-en-2-one
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pentadecane-2,14-dione
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CID 537416

Frequently Asked Questions

What is the IUPAC name of (7Z)-7-(methylaminomethylidene)nonane-2,6-dione?
The IUPAC name of (7Z)-7-(methylaminomethylidene)nonane-2,6-dione (CID 166959865) is (7Z)-7-(methylaminomethylidene)nonane-2,6-dione.
What is the SMILES notation for (7Z)-7-(methylaminomethylidene)nonane-2,6-dione?
The canonical SMILES for (7Z)-7-(methylaminomethylidene)nonane-2,6-dione is CC/C(=C/NC)C(=O)CCCC(C)=O.
What is the InChIKey of (7Z)-7-(methylaminomethylidene)nonane-2,6-dione?
The InChIKey is JNRQSHSQXAYEGD-NTMALXAHSA-N. The full InChI is InChI=1S/C11H19NO2/c1-4-10(8-12-3)11(14)7-5-6-9(2)13/h8,12H,4-7H2,1-3H3/b10-8-.
What are the key properties of (7Z)-7-(methylaminomethylidene)nonane-2,6-dione?
(7Z)-7-(methylaminomethylidene)nonane-2,6-dione has a molecular weight of 197.28 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-7-(methylaminomethylidene)nonane-2,6-dione is sourced from PubChem (CID 166959865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).