2-[2-(dimethylamino)ethyliminomethyl]-3-hydroxycyclohex-2-en-1-one

C11H18N2O2 — CID 169322882

IUPAC2-[2-(dimethylamino)ethyliminomethyl]-3-hydroxycyclohex-2-en-1-one
SMILESCN(C)CC/N=C/C1=C(O)CCCC1=O
InChIInChI=1S/C11H18N2O2/c1-13(2)7-6-12-8-9-10(14)4-3-5-11(9)15/h8,14H,3-7H2,1-2H3/b12-8+
InChIKeyLDDYQCSKLDHNJF-XYOKQWHBSA-N
MW210.28 g/mol
LogP1.18
Rot. Bonds4

About 2-[2-(dimethylamino)ethyliminomethyl]-3-hydroxycyclohex-2-en-1-one

2-[2-(dimethylamino)ethyliminomethyl]-3-hydroxycyclohex-2-en-1-one (PubChem CID 169322882) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyliminomethyl]-3-hydroxycyclohex-2-en-1-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyliminomethyl]-3-hydroxycyclohex-2-en-1-one
PubChem CID169322882
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-[2-(dimethylamino)ethyliminomethyl]-3-hydroxycyclohex-2-en-1-one
SMILESCN(C)CC/N=C/C1=C(O)CCCC1=O
InChIInChI=1S/C11H18N2O2/c1-13(2)7-6-12-8-9-10(14)4-3-5-11(9)15/h8,14H,3-7H2,1-2H3/b12-8+
InChIKeyLDDYQCSKLDHNJF-XYOKQWHBSA-N
XLogP1.18
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyliminomethyl]-3-hydroxycyclohex-2-en-1-one?
The IUPAC name of 2-[2-(dimethylamino)ethyliminomethyl]-3-hydroxycyclohex-2-en-1-one (CID 169322882) is 2-[2-(dimethylamino)ethyliminomethyl]-3-hydroxycyclohex-2-en-1-one.
What is the SMILES notation for 2-[2-(dimethylamino)ethyliminomethyl]-3-hydroxycyclohex-2-en-1-one?
The canonical SMILES for 2-[2-(dimethylamino)ethyliminomethyl]-3-hydroxycyclohex-2-en-1-one is CN(C)CC/N=C/C1=C(O)CCCC1=O.
What is the InChIKey of 2-[2-(dimethylamino)ethyliminomethyl]-3-hydroxycyclohex-2-en-1-one?
The InChIKey is LDDYQCSKLDHNJF-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-13(2)7-6-12-8-9-10(14)4-3-5-11(9)15/h8,14H,3-7H2,1-2H3/b12-8+.
What are the key properties of 2-[2-(dimethylamino)ethyliminomethyl]-3-hydroxycyclohex-2-en-1-one?
2-[2-(dimethylamino)ethyliminomethyl]-3-hydroxycyclohex-2-en-1-one has a molecular weight of 210.28 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyliminomethyl]-3-hydroxycyclohex-2-en-1-one is sourced from PubChem (CID 169322882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).