(Z)-2-methylidene-4-(methylideneamino)but-3-en-1-ol

C6H9NO — CID 142944014

IUPAC(Z)-2-methylidene-4-(methylideneamino)but-3-en-1-ol
SMILESC=N/C=C\C(=C)CO
InChIInChI=1S/C6H9NO/c1-6(5-8)3-4-7-2/h3-4,8H,1-2,5H2/b4-3-
InChIKeyMMDUXBZPLQIOPA-ARJAWSKDSA-N
MW111.14 g/mol
LogP0.75
Rot. Bonds3

About (Z)-2-methylidene-4-(methylideneamino)but-3-en-1-ol

(Z)-2-methylidene-4-(methylideneamino)but-3-en-1-ol (PubChem CID 142944014) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is (Z)-2-methylidene-4-(methylideneamino)but-3-en-1-ol.

Molecular Properties

Compound Name(Z)-2-methylidene-4-(methylideneamino)but-3-en-1-ol
PubChem CID142944014
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name(Z)-2-methylidene-4-(methylideneamino)but-3-en-1-ol
SMILESC=N/C=C\C(=C)CO
InChIInChI=1S/C6H9NO/c1-6(5-8)3-4-7-2/h3-4,8H,1-2,5H2/b4-3-
InChIKeyMMDUXBZPLQIOPA-ARJAWSKDSA-N
XLogP0.75
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-methylidene-4-(methylideneamino)but-3-en-1-ol?
The IUPAC name of (Z)-2-methylidene-4-(methylideneamino)but-3-en-1-ol (CID 142944014) is (Z)-2-methylidene-4-(methylideneamino)but-3-en-1-ol.
What is the SMILES notation for (Z)-2-methylidene-4-(methylideneamino)but-3-en-1-ol?
The canonical SMILES for (Z)-2-methylidene-4-(methylideneamino)but-3-en-1-ol is C=N/C=C\C(=C)CO.
What is the InChIKey of (Z)-2-methylidene-4-(methylideneamino)but-3-en-1-ol?
The InChIKey is MMDUXBZPLQIOPA-ARJAWSKDSA-N. The full InChI is InChI=1S/C6H9NO/c1-6(5-8)3-4-7-2/h3-4,8H,1-2,5H2/b4-3-.
What are the key properties of (Z)-2-methylidene-4-(methylideneamino)but-3-en-1-ol?
(Z)-2-methylidene-4-(methylideneamino)but-3-en-1-ol has a molecular weight of 111.14 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methylidene-4-(methylideneamino)but-3-en-1-ol is sourced from PubChem (CID 142944014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).