(2E,6E,10R,11R)-10-amino-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one

C15H25NO — CID 46937360

IUPAC(2E,6E,10R,11R)-10-amino-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one
SMILESC/C1=C\CC(C)(C)/C=C/C(=O)[C@H](C)[C@H](N)CC1
InChIInChI=1S/C15H25NO/c1-11-5-6-13(16)12(2)14(17)8-10-15(3,4)9-7-11/h7-8,10,12-13H,5-6,9,16H2,1-4H3/b10-8+,11-7+/t12-,13-/m1/s1
InChIKeySXHWJVDYMLLXKF-QRDKOGIESA-N
MW235.37 g/mol
LogP3.23
Rot. Bonds

About (2E,6E,10R,11R)-10-amino-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one

(2E,6E,10R,11R)-10-amino-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one (PubChem CID 46937360) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is (2E,6E,10R,11R)-10-amino-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one.

Molecular Properties

Compound Name(2E,6E,10R,11R)-10-amino-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one
PubChem CID46937360
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name(2E,6E,10R,11R)-10-amino-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one
SMILESC/C1=C\CC(C)(C)/C=C/C(=O)[C@H](C)[C@H](N)CC1
InChIInChI=1S/C15H25NO/c1-11-5-6-13(16)12(2)14(17)8-10-15(3,4)9-7-11/h7-8,10,12-13H,5-6,9,16H2,1-4H3/b10-8+,11-7+/t12-,13-/m1/s1
InChIKeySXHWJVDYMLLXKF-QRDKOGIESA-N
XLogP3.23
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,6E,10R,11R)-10-amino-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one?
The IUPAC name of (2E,6E,10R,11R)-10-amino-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one (CID 46937360) is (2E,6E,10R,11R)-10-amino-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one.
What is the SMILES notation for (2E,6E,10R,11R)-10-amino-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one?
The canonical SMILES for (2E,6E,10R,11R)-10-amino-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one is C/C1=C\CC(C)(C)/C=C/C(=O)[C@H](C)[C@H](N)CC1.
What is the InChIKey of (2E,6E,10R,11R)-10-amino-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one?
The InChIKey is SXHWJVDYMLLXKF-QRDKOGIESA-N. The full InChI is InChI=1S/C15H25NO/c1-11-5-6-13(16)12(2)14(17)8-10-15(3,4)9-7-11/h7-8,10,12-13H,5-6,9,16H2,1-4H3/b10-8+,11-7+/t12-,13-/m1/s1.
What are the key properties of (2E,6E,10R,11R)-10-amino-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one?
(2E,6E,10R,11R)-10-amino-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one has a molecular weight of 235.37 g/mol, XLogP of 3.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,10R,11R)-10-amino-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one is sourced from PubChem (CID 46937360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).