(4E)-7-(1-amino-2-methylpropan-2-yl)cyclooct-4-en-1-ol

C12H23NO — CID 154932075

IUPAC(4E)-7-(1-amino-2-methylpropan-2-yl)cyclooct-4-en-1-ol
SMILESCC(C)(CN)C1C/C=C\CCC(O)C1
InChIInChI=1S/C12H23NO/c1-12(2,9-13)10-6-4-3-5-7-11(14)8-10/h3-4,10-11,14H,5-9,13H2,1-2H3/b4-3-
InChIKeyUHPVBFPVQGWCJA-ARJAWSKDSA-N
MW197.32 g/mol
LogP2.08
Rot. Bonds2

About (4E)-7-(1-amino-2-methylpropan-2-yl)cyclooct-4-en-1-ol

(4E)-7-(1-amino-2-methylpropan-2-yl)cyclooct-4-en-1-ol (PubChem CID 154932075) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (4E)-7-(1-amino-2-methylpropan-2-yl)cyclooct-4-en-1-ol.

Molecular Properties

Compound Name(4E)-7-(1-amino-2-methylpropan-2-yl)cyclooct-4-en-1-ol
PubChem CID154932075
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(4E)-7-(1-amino-2-methylpropan-2-yl)cyclooct-4-en-1-ol
SMILESCC(C)(CN)C1C/C=C\CCC(O)C1
InChIInChI=1S/C12H23NO/c1-12(2,9-13)10-6-4-3-5-7-11(14)8-10/h3-4,10-11,14H,5-9,13H2,1-2H3/b4-3-
InChIKeyUHPVBFPVQGWCJA-ARJAWSKDSA-N
XLogP2.08
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.08
H-Bond Donors ≤ 52
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 (4E)-7-(1-amino-2-methylpropan-2-yl)cyclooct-4-en-1-ol?
The IUPAC name of (4E)-7-(1-amino-2-methylpropan-2-yl)cyclooct-4-en-1-ol (CID 154932075) is (4E)-7-(1-amino-2-methylpropan-2-yl)cyclooct-4-en-1-ol.
What is the SMILES notation for (4E)-7-(1-amino-2-methylpropan-2-yl)cyclooct-4-en-1-ol?
The canonical SMILES for (4E)-7-(1-amino-2-methylpropan-2-yl)cyclooct-4-en-1-ol is CC(C)(CN)C1C/C=C\CCC(O)C1.
What is the InChIKey of (4E)-7-(1-amino-2-methylpropan-2-yl)cyclooct-4-en-1-ol?
The InChIKey is UHPVBFPVQGWCJA-ARJAWSKDSA-N. The full InChI is InChI=1S/C12H23NO/c1-12(2,9-13)10-6-4-3-5-7-11(14)8-10/h3-4,10-11,14H,5-9,13H2,1-2H3/b4-3-.
What are the key properties of (4E)-7-(1-amino-2-methylpropan-2-yl)cyclooct-4-en-1-ol?
(4E)-7-(1-amino-2-methylpropan-2-yl)cyclooct-4-en-1-ol has a molecular weight of 197.32 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-7-(1-amino-2-methylpropan-2-yl)cyclooct-4-en-1-ol is sourced from PubChem (CID 154932075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).