(Z)-4-(methylamino)-2-methylidenebut-3-en-1-ol

C6H11NO — CID 129296471

IUPAC(Z)-4-(methylamino)-2-methylidenebut-3-en-1-ol
SMILESC=C(/C=C\NC)CO
InChIInChI=1S/C6H11NO/c1-6(5-8)3-4-7-2/h3-4,7-8H,1,5H2,2H3/b4-3-
InChIKeyLXCYKXXPQABGLM-ARJAWSKDSA-N
MW113.16 g/mol
LogP0.27
Rot. Bonds3

About (Z)-4-(methylamino)-2-methylidenebut-3-en-1-ol

(Z)-4-(methylamino)-2-methylidenebut-3-en-1-ol (PubChem CID 129296471) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (Z)-4-(methylamino)-2-methylidenebut-3-en-1-ol.

Molecular Properties

Compound Name(Z)-4-(methylamino)-2-methylidenebut-3-en-1-ol
PubChem CID129296471
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(Z)-4-(methylamino)-2-methylidenebut-3-en-1-ol
SMILESC=C(/C=C\NC)CO
InChIInChI=1S/C6H11NO/c1-6(5-8)3-4-7-2/h3-4,7-8H,1,5H2,2H3/b4-3-
InChIKeyLXCYKXXPQABGLM-ARJAWSKDSA-N
XLogP0.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-(methylamino)-2-methylidenebut-3-en-1-ol?
The IUPAC name of (Z)-4-(methylamino)-2-methylidenebut-3-en-1-ol (CID 129296471) is (Z)-4-(methylamino)-2-methylidenebut-3-en-1-ol.
What is the SMILES notation for (Z)-4-(methylamino)-2-methylidenebut-3-en-1-ol?
The canonical SMILES for (Z)-4-(methylamino)-2-methylidenebut-3-en-1-ol is C=C(/C=C\NC)CO.
What is the InChIKey of (Z)-4-(methylamino)-2-methylidenebut-3-en-1-ol?
The InChIKey is LXCYKXXPQABGLM-ARJAWSKDSA-N. The full InChI is InChI=1S/C6H11NO/c1-6(5-8)3-4-7-2/h3-4,7-8H,1,5H2,2H3/b4-3-.
What are the key properties of (Z)-4-(methylamino)-2-methylidenebut-3-en-1-ol?
(Z)-4-(methylamino)-2-methylidenebut-3-en-1-ol has a molecular weight of 113.16 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(methylamino)-2-methylidenebut-3-en-1-ol is sourced from PubChem (CID 129296471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).