(Z)-3-methyl-2-(methylamino)but-1-en-1-ol

C6H13NO — CID 177229690

IUPAC(Z)-3-methyl-2-(methylamino)but-1-en-1-ol
SMILESCN/C(=C\O)C(C)C
InChIInChI=1S/C6H13NO/c1-5(2)6(4-8)7-3/h4-5,7-8H,1-3H3/b6-4-
InChIKeyOQBNDINTROESOG-XQRVVYSFSA-N
MW115.18 g/mol
LogP1.26
Rot. Bonds2

About (Z)-3-methyl-2-(methylamino)but-1-en-1-ol

(Z)-3-methyl-2-(methylamino)but-1-en-1-ol (PubChem CID 177229690) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is (Z)-3-methyl-2-(methylamino)but-1-en-1-ol.

Molecular Properties

Compound Name(Z)-3-methyl-2-(methylamino)but-1-en-1-ol
PubChem CID177229690
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name(Z)-3-methyl-2-(methylamino)but-1-en-1-ol
SMILESCN/C(=C\O)C(C)C
InChIInChI=1S/C6H13NO/c1-5(2)6(4-8)7-3/h4-5,7-8H,1-3H3/b6-4-
InChIKeyOQBNDINTROESOG-XQRVVYSFSA-N
XLogP1.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-methyl-2-(methylamino)but-1-en-1-ol?
The IUPAC name of (Z)-3-methyl-2-(methylamino)but-1-en-1-ol (CID 177229690) is (Z)-3-methyl-2-(methylamino)but-1-en-1-ol.
What is the SMILES notation for (Z)-3-methyl-2-(methylamino)but-1-en-1-ol?
The canonical SMILES for (Z)-3-methyl-2-(methylamino)but-1-en-1-ol is CN/C(=C\O)C(C)C.
What is the InChIKey of (Z)-3-methyl-2-(methylamino)but-1-en-1-ol?
The InChIKey is OQBNDINTROESOG-XQRVVYSFSA-N. The full InChI is InChI=1S/C6H13NO/c1-5(2)6(4-8)7-3/h4-5,7-8H,1-3H3/b6-4-.
What are the key properties of (Z)-3-methyl-2-(methylamino)but-1-en-1-ol?
(Z)-3-methyl-2-(methylamino)but-1-en-1-ol has a molecular weight of 115.18 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-2-(methylamino)but-1-en-1-ol is sourced from PubChem (CID 177229690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).