1-[(4Z,8R)-8-(methylamino)cyclooct-4-en-1-yl]ethanone

C11H19NO — CID 58855645

IUPAC1-[(4Z,8R)-8-(methylamino)cyclooct-4-en-1-yl]ethanone
SMILESCN[C@@H]1CC/C=C\CCC1C(C)=O
InChIInChI=1S/C11H19NO/c1-9(13)10-7-5-3-4-6-8-11(10)12-2/h3-4,10-12H,5-8H2,1-2H3/b4-3-/t10?,11-/m1/s1
InChIKeyOIAARILWWQUABF-NEZQVCRUSA-N
MW181.28 g/mol
LogP1.91
Rot. Bonds2

About 1-[(4Z,8R)-8-(methylamino)cyclooct-4-en-1-yl]ethanone

1-[(4Z,8R)-8-(methylamino)cyclooct-4-en-1-yl]ethanone (PubChem CID 58855645) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-[(4Z,8R)-8-(methylamino)cyclooct-4-en-1-yl]ethanone.

Molecular Properties

Compound Name1-[(4Z,8R)-8-(methylamino)cyclooct-4-en-1-yl]ethanone
PubChem CID58855645
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-[(4Z,8R)-8-(methylamino)cyclooct-4-en-1-yl]ethanone
SMILESCN[C@@H]1CC/C=C\CCC1C(C)=O
InChIInChI=1S/C11H19NO/c1-9(13)10-7-5-3-4-6-8-11(10)12-2/h3-4,10-12H,5-8H2,1-2H3/b4-3-/t10?,11-/m1/s1
InChIKeyOIAARILWWQUABF-NEZQVCRUSA-N
XLogP1.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.91
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 1-[(4Z,8R)-8-(methylamino)cyclooct-4-en-1-yl]ethanone?
The IUPAC name of 1-[(4Z,8R)-8-(methylamino)cyclooct-4-en-1-yl]ethanone (CID 58855645) is 1-[(4Z,8R)-8-(methylamino)cyclooct-4-en-1-yl]ethanone.
What is the SMILES notation for 1-[(4Z,8R)-8-(methylamino)cyclooct-4-en-1-yl]ethanone?
The canonical SMILES for 1-[(4Z,8R)-8-(methylamino)cyclooct-4-en-1-yl]ethanone is CN[C@@H]1CC/C=C\CCC1C(C)=O.
What is the InChIKey of 1-[(4Z,8R)-8-(methylamino)cyclooct-4-en-1-yl]ethanone?
The InChIKey is OIAARILWWQUABF-NEZQVCRUSA-N. The full InChI is InChI=1S/C11H19NO/c1-9(13)10-7-5-3-4-6-8-11(10)12-2/h3-4,10-12H,5-8H2,1-2H3/b4-3-/t10?,11-/m1/s1.
What are the key properties of 1-[(4Z,8R)-8-(methylamino)cyclooct-4-en-1-yl]ethanone?
1-[(4Z,8R)-8-(methylamino)cyclooct-4-en-1-yl]ethanone has a molecular weight of 181.28 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4Z,8R)-8-(methylamino)cyclooct-4-en-1-yl]ethanone is sourced from PubChem (CID 58855645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).