(E)-1-(dimethylamino)-3-iminoprop-1-en-2-ol

C5H10N2O — CID 166876975

IUPAC(E)-1-(dimethylamino)-3-iminoprop-1-en-2-ol
SMILES[H]/N=C/C(O)=C\N(C)C
InChIInChI=1S/C5H10N2O/c1-7(2)4-5(8)3-6/h3-4,6,8H,1-2H3/b5-4+,6-3+
InChIKeyIYAPDUFGFXAASC-UTTVJGTNSA-N
MW114.15 g/mol
LogP0.60
Rot. Bonds2

About (E)-1-(dimethylamino)-3-iminoprop-1-en-2-ol

(E)-1-(dimethylamino)-3-iminoprop-1-en-2-ol (PubChem CID 166876975) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is (E)-1-(dimethylamino)-3-iminoprop-1-en-2-ol.

Molecular Properties

Compound Name(E)-1-(dimethylamino)-3-iminoprop-1-en-2-ol
PubChem CID166876975
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name(E)-1-(dimethylamino)-3-iminoprop-1-en-2-ol
SMILES[H]/N=C/C(O)=C\N(C)C
InChIInChI=1S/C5H10N2O/c1-7(2)4-5(8)3-6/h3-4,6,8H,1-2H3/b5-4+,6-3+
InChIKeyIYAPDUFGFXAASC-UTTVJGTNSA-N
XLogP0.60
TPSA47.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (E)-1-(dimethylamino)-3-iminoprop-1-en-2-ol?
The IUPAC name of (E)-1-(dimethylamino)-3-iminoprop-1-en-2-ol (CID 166876975) is (E)-1-(dimethylamino)-3-iminoprop-1-en-2-ol.
What is the SMILES notation for (E)-1-(dimethylamino)-3-iminoprop-1-en-2-ol?
The canonical SMILES for (E)-1-(dimethylamino)-3-iminoprop-1-en-2-ol is [H]/N=C/C(O)=C\N(C)C.
What is the InChIKey of (E)-1-(dimethylamino)-3-iminoprop-1-en-2-ol?
The InChIKey is IYAPDUFGFXAASC-UTTVJGTNSA-N. The full InChI is InChI=1S/C5H10N2O/c1-7(2)4-5(8)3-6/h3-4,6,8H,1-2H3/b5-4+,6-3+.
What are the key properties of (E)-1-(dimethylamino)-3-iminoprop-1-en-2-ol?
(E)-1-(dimethylamino)-3-iminoprop-1-en-2-ol has a molecular weight of 114.15 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(dimethylamino)-3-iminoprop-1-en-2-ol is sourced from PubChem (CID 166876975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).