(E)-2-methyl-4-methyliminobut-2-en-1-ol

C6H11NO — CID 155040562

IUPAC(E)-2-methyl-4-methyliminobut-2-en-1-ol
SMILESC/N=C/C=C(\C)CO
InChIInChI=1S/C6H11NO/c1-6(5-8)3-4-7-2/h3-4,8H,5H2,1-2H3/b6-3+,7-4+
InChIKeyVVDFRLVAWCOQDL-XOKGJFMYSA-N
MW113.16 g/mol
LogP0.63
Rot. Bonds2

About (E)-2-methyl-4-methyliminobut-2-en-1-ol

(E)-2-methyl-4-methyliminobut-2-en-1-ol (PubChem CID 155040562) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (E)-2-methyl-4-methyliminobut-2-en-1-ol.

Molecular Properties

Compound Name(E)-2-methyl-4-methyliminobut-2-en-1-ol
PubChem CID155040562
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(E)-2-methyl-4-methyliminobut-2-en-1-ol
SMILESC/N=C/C=C(\C)CO
InChIInChI=1S/C6H11NO/c1-6(5-8)3-4-7-2/h3-4,8H,5H2,1-2H3/b6-3+,7-4+
InChIKeyVVDFRLVAWCOQDL-XOKGJFMYSA-N
XLogP0.63
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (E)-2-methyl-4-methyliminobut-2-en-1-ol?
The IUPAC name of (E)-2-methyl-4-methyliminobut-2-en-1-ol (CID 155040562) is (E)-2-methyl-4-methyliminobut-2-en-1-ol.
What is the SMILES notation for (E)-2-methyl-4-methyliminobut-2-en-1-ol?
The canonical SMILES for (E)-2-methyl-4-methyliminobut-2-en-1-ol is C/N=C/C=C(\C)CO.
What is the InChIKey of (E)-2-methyl-4-methyliminobut-2-en-1-ol?
The InChIKey is VVDFRLVAWCOQDL-XOKGJFMYSA-N. The full InChI is InChI=1S/C6H11NO/c1-6(5-8)3-4-7-2/h3-4,8H,5H2,1-2H3/b6-3+,7-4+.
What are the key properties of (E)-2-methyl-4-methyliminobut-2-en-1-ol?
(E)-2-methyl-4-methyliminobut-2-en-1-ol has a molecular weight of 113.16 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-4-methyliminobut-2-en-1-ol is sourced from PubChem (CID 155040562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).