(6Z,8Z)-3-(methylamino)undeca-6,8,10-trien-2-one

C12H19NO — CID 126612378

IUPAC(6Z,8Z)-3-(methylamino)undeca-6,8,10-trien-2-one
SMILESC=C/C=C\C=C/CCC(NC)C(C)=O
InChIInChI=1S/C12H19NO/c1-4-5-6-7-8-9-10-12(13-3)11(2)14/h4-8,12-13H,1,9-10H2,2-3H3/b6-5-,8-7-
InChIKeyUTWKXXYCQLUUMG-ISTTXYCBSA-N
MW193.29 g/mol
LogP2.24
Rot. Bonds7

About (6Z,8Z)-3-(methylamino)undeca-6,8,10-trien-2-one

(6Z,8Z)-3-(methylamino)undeca-6,8,10-trien-2-one (PubChem CID 126612378) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (6Z,8Z)-3-(methylamino)undeca-6,8,10-trien-2-one.

Molecular Properties

Compound Name(6Z,8Z)-3-(methylamino)undeca-6,8,10-trien-2-one
PubChem CID126612378
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(6Z,8Z)-3-(methylamino)undeca-6,8,10-trien-2-one
SMILESC=C/C=C\C=C/CCC(NC)C(C)=O
InChIInChI=1S/C12H19NO/c1-4-5-6-7-8-9-10-12(13-3)11(2)14/h4-8,12-13H,1,9-10H2,2-3H3/b6-5-,8-7-
InChIKeyUTWKXXYCQLUUMG-ISTTXYCBSA-N
XLogP2.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6Z,8Z)-3-(methylamino)undeca-6,8,10-trien-2-one?
The IUPAC name of (6Z,8Z)-3-(methylamino)undeca-6,8,10-trien-2-one (CID 126612378) is (6Z,8Z)-3-(methylamino)undeca-6,8,10-trien-2-one.
What is the SMILES notation for (6Z,8Z)-3-(methylamino)undeca-6,8,10-trien-2-one?
The canonical SMILES for (6Z,8Z)-3-(methylamino)undeca-6,8,10-trien-2-one is C=C/C=C\C=C/CCC(NC)C(C)=O.
What is the InChIKey of (6Z,8Z)-3-(methylamino)undeca-6,8,10-trien-2-one?
The InChIKey is UTWKXXYCQLUUMG-ISTTXYCBSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-5-6-7-8-9-10-12(13-3)11(2)14/h4-8,12-13H,1,9-10H2,2-3H3/b6-5-,8-7-.
What are the key properties of (6Z,8Z)-3-(methylamino)undeca-6,8,10-trien-2-one?
(6Z,8Z)-3-(methylamino)undeca-6,8,10-trien-2-one has a molecular weight of 193.29 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8Z)-3-(methylamino)undeca-6,8,10-trien-2-one is sourced from PubChem (CID 126612378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).