(5Z,6Z)-3-amino-5-ethylidenenona-6,8-dien-2-one

C11H17NO — CID 88562770

IUPAC(5Z,6Z)-3-amino-5-ethylidenenona-6,8-dien-2-one
SMILESC=C/C=C\C(=C/C)CC(N)C(C)=O
InChIInChI=1S/C11H17NO/c1-4-6-7-10(5-2)8-11(12)9(3)13/h4-7,11H,1,8,12H2,2-3H3/b7-6-,10-5+
InChIKeyFBWHDZLKGMCKJY-JQEGGOPCSA-N
MW179.26 g/mol
LogP1.98
Rot. Bonds5

About (5Z,6Z)-3-amino-5-ethylidenenona-6,8-dien-2-one

(5Z,6Z)-3-amino-5-ethylidenenona-6,8-dien-2-one (PubChem CID 88562770) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (5Z,6Z)-3-amino-5-ethylidenenona-6,8-dien-2-one.

Molecular Properties

Compound Name(5Z,6Z)-3-amino-5-ethylidenenona-6,8-dien-2-one
PubChem CID88562770
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(5Z,6Z)-3-amino-5-ethylidenenona-6,8-dien-2-one
SMILESC=C/C=C\C(=C/C)CC(N)C(C)=O
InChIInChI=1S/C11H17NO/c1-4-6-7-10(5-2)8-11(12)9(3)13/h4-7,11H,1,8,12H2,2-3H3/b7-6-,10-5+
InChIKeyFBWHDZLKGMCKJY-JQEGGOPCSA-N
XLogP1.98
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.98
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 (5Z,6Z)-3-amino-5-ethylidenenona-6,8-dien-2-one?
The IUPAC name of (5Z,6Z)-3-amino-5-ethylidenenona-6,8-dien-2-one (CID 88562770) is (5Z,6Z)-3-amino-5-ethylidenenona-6,8-dien-2-one.
What is the SMILES notation for (5Z,6Z)-3-amino-5-ethylidenenona-6,8-dien-2-one?
The canonical SMILES for (5Z,6Z)-3-amino-5-ethylidenenona-6,8-dien-2-one is C=C/C=C\C(=C/C)CC(N)C(C)=O.
What is the InChIKey of (5Z,6Z)-3-amino-5-ethylidenenona-6,8-dien-2-one?
The InChIKey is FBWHDZLKGMCKJY-JQEGGOPCSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-6-7-10(5-2)8-11(12)9(3)13/h4-7,11H,1,8,12H2,2-3H3/b7-6-,10-5+.
What are the key properties of (5Z,6Z)-3-amino-5-ethylidenenona-6,8-dien-2-one?
(5Z,6Z)-3-amino-5-ethylidenenona-6,8-dien-2-one has a molecular weight of 179.26 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6Z)-3-amino-5-ethylidenenona-6,8-dien-2-one is sourced from PubChem (CID 88562770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).