(6Z,8Z)-4-amino-6-ethenyl-2-methyldeca-6,8-dien-3-one

C13H21NO — CID 153342117

IUPAC(6Z,8Z)-4-amino-6-ethenyl-2-methyldeca-6,8-dien-3-one
SMILESC=C/C(=C\C=C/C)CC(N)C(=O)C(C)C
InChIInChI=1S/C13H21NO/c1-5-7-8-11(6-2)9-12(14)13(15)10(3)4/h5-8,10,12H,2,9,14H2,1,3-4H3/b7-5-,11-8+
InChIKeyYJVSOHFUAHALIT-UKJSTWFMSA-N
MW207.32 g/mol
LogP2.62
Rot. Bonds6

About (6Z,8Z)-4-amino-6-ethenyl-2-methyldeca-6,8-dien-3-one

(6Z,8Z)-4-amino-6-ethenyl-2-methyldeca-6,8-dien-3-one (PubChem CID 153342117) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (6Z,8Z)-4-amino-6-ethenyl-2-methyldeca-6,8-dien-3-one.

Molecular Properties

Compound Name(6Z,8Z)-4-amino-6-ethenyl-2-methyldeca-6,8-dien-3-one
PubChem CID153342117
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(6Z,8Z)-4-amino-6-ethenyl-2-methyldeca-6,8-dien-3-one
SMILESC=C/C(=C\C=C/C)CC(N)C(=O)C(C)C
InChIInChI=1S/C13H21NO/c1-5-7-8-11(6-2)9-12(14)13(15)10(3)4/h5-8,10,12H,2,9,14H2,1,3-4H3/b7-5-,11-8+
InChIKeyYJVSOHFUAHALIT-UKJSTWFMSA-N
XLogP2.62
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.62
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)-4-amino-6-ethenyl-2-methyldeca-6,8-dien-3-one?
The IUPAC name of (6Z,8Z)-4-amino-6-ethenyl-2-methyldeca-6,8-dien-3-one (CID 153342117) is (6Z,8Z)-4-amino-6-ethenyl-2-methyldeca-6,8-dien-3-one.
What is the SMILES notation for (6Z,8Z)-4-amino-6-ethenyl-2-methyldeca-6,8-dien-3-one?
The canonical SMILES for (6Z,8Z)-4-amino-6-ethenyl-2-methyldeca-6,8-dien-3-one is C=C/C(=C\C=C/C)CC(N)C(=O)C(C)C.
What is the InChIKey of (6Z,8Z)-4-amino-6-ethenyl-2-methyldeca-6,8-dien-3-one?
The InChIKey is YJVSOHFUAHALIT-UKJSTWFMSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-7-8-11(6-2)9-12(14)13(15)10(3)4/h5-8,10,12H,2,9,14H2,1,3-4H3/b7-5-,11-8+.
What are the key properties of (6Z,8Z)-4-amino-6-ethenyl-2-methyldeca-6,8-dien-3-one?
(6Z,8Z)-4-amino-6-ethenyl-2-methyldeca-6,8-dien-3-one has a molecular weight of 207.32 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8Z)-4-amino-6-ethenyl-2-methyldeca-6,8-dien-3-one is sourced from PubChem (CID 153342117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).