3-cyclodecyl-3-iminoprop-1-en-2-ol

C13H23NO — CID 166688432

IUPAC3-cyclodecyl-3-iminoprop-1-en-2-ol
SMILES[H]/N=C(\C(=C)O)C1CCCCCCCCC1
InChIInChI=1S/C13H23NO/c1-11(15)13(14)12-9-7-5-3-2-4-6-8-10-12/h12,14-15H,1-10H2/b14-13+
InChIKeyQHEINOBFQPHTHQ-BUHFOSPRSA-N
MW209.33 g/mol
LogP4.22
Rot. Bonds2

About 3-cyclodecyl-3-iminoprop-1-en-2-ol

3-cyclodecyl-3-iminoprop-1-en-2-ol (PubChem CID 166688432) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 3-cyclodecyl-3-iminoprop-1-en-2-ol.

Molecular Properties

Compound Name3-cyclodecyl-3-iminoprop-1-en-2-ol
PubChem CID166688432
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name3-cyclodecyl-3-iminoprop-1-en-2-ol
SMILES[H]/N=C(\C(=C)O)C1CCCCCCCCC1
InChIInChI=1S/C13H23NO/c1-11(15)13(14)12-9-7-5-3-2-4-6-8-10-12/h12,14-15H,1-10H2/b14-13+
InChIKeyQHEINOBFQPHTHQ-BUHFOSPRSA-N
XLogP4.22
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclodecyl-3-iminoprop-1-en-2-ol?
The IUPAC name of 3-cyclodecyl-3-iminoprop-1-en-2-ol (CID 166688432) is 3-cyclodecyl-3-iminoprop-1-en-2-ol.
What is the SMILES notation for 3-cyclodecyl-3-iminoprop-1-en-2-ol?
The canonical SMILES for 3-cyclodecyl-3-iminoprop-1-en-2-ol is [H]/N=C(\C(=C)O)C1CCCCCCCCC1.
What is the InChIKey of 3-cyclodecyl-3-iminoprop-1-en-2-ol?
The InChIKey is QHEINOBFQPHTHQ-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H23NO/c1-11(15)13(14)12-9-7-5-3-2-4-6-8-10-12/h12,14-15H,1-10H2/b14-13+.
What are the key properties of 3-cyclodecyl-3-iminoprop-1-en-2-ol?
3-cyclodecyl-3-iminoprop-1-en-2-ol has a molecular weight of 209.33 g/mol, XLogP of 4.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclodecyl-3-iminoprop-1-en-2-ol is sourced from PubChem (CID 166688432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).