(6Z)-1-amino-3-methyl-5-methylidenenona-6,8-dien-4-one

C11H17NO — CID 121280671

IUPAC(6Z)-1-amino-3-methyl-5-methylidenenona-6,8-dien-4-one
SMILESC=C/C=C\C(=C)C(=O)C(C)CCN
InChIInChI=1S/C11H17NO/c1-4-5-6-9(2)11(13)10(3)7-8-12/h4-6,10H,1-2,7-8,12H2,3H3/b6-5-
InChIKeyWJCWRKVSRRHPKE-WAYWQWQTSA-N
MW179.26 g/mol
LogP1.84
Rot. Bonds6

About (6Z)-1-amino-3-methyl-5-methylidenenona-6,8-dien-4-one

(6Z)-1-amino-3-methyl-5-methylidenenona-6,8-dien-4-one (PubChem CID 121280671) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (6Z)-1-amino-3-methyl-5-methylidenenona-6,8-dien-4-one.

Molecular Properties

Compound Name(6Z)-1-amino-3-methyl-5-methylidenenona-6,8-dien-4-one
PubChem CID121280671
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(6Z)-1-amino-3-methyl-5-methylidenenona-6,8-dien-4-one
SMILESC=C/C=C\C(=C)C(=O)C(C)CCN
InChIInChI=1S/C11H17NO/c1-4-5-6-9(2)11(13)10(3)7-8-12/h4-6,10H,1-2,7-8,12H2,3H3/b6-5-
InChIKeyWJCWRKVSRRHPKE-WAYWQWQTSA-N
XLogP1.84
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6Z)-1-amino-3-methyl-5-methylidenenona-6,8-dien-4-one?
The IUPAC name of (6Z)-1-amino-3-methyl-5-methylidenenona-6,8-dien-4-one (CID 121280671) is (6Z)-1-amino-3-methyl-5-methylidenenona-6,8-dien-4-one.
What is the SMILES notation for (6Z)-1-amino-3-methyl-5-methylidenenona-6,8-dien-4-one?
The canonical SMILES for (6Z)-1-amino-3-methyl-5-methylidenenona-6,8-dien-4-one is C=C/C=C\C(=C)C(=O)C(C)CCN.
What is the InChIKey of (6Z)-1-amino-3-methyl-5-methylidenenona-6,8-dien-4-one?
The InChIKey is WJCWRKVSRRHPKE-WAYWQWQTSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-5-6-9(2)11(13)10(3)7-8-12/h4-6,10H,1-2,7-8,12H2,3H3/b6-5-.
What are the key properties of (6Z)-1-amino-3-methyl-5-methylidenenona-6,8-dien-4-one?
(6Z)-1-amino-3-methyl-5-methylidenenona-6,8-dien-4-one has a molecular weight of 179.26 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-1-amino-3-methyl-5-methylidenenona-6,8-dien-4-one is sourced from PubChem (CID 121280671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).