1-[methyl(prop-2-enyl)amino]but-3-en-2-ol

C8H15NO — CID 130130248

IUPAC1-[methyl(prop-2-enyl)amino]but-3-en-2-ol
SMILESC=CCN(C)CC(O)C=C
InChIInChI=1S/C8H15NO/c1-4-6-9(3)7-8(10)5-2/h4-5,8,10H,1-2,6-7H2,3H3
InChIKeyOHXRCLHMZBLBHT-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.65
Rot. Bonds5

About 1-[methyl(prop-2-enyl)amino]but-3-en-2-ol

1-[methyl(prop-2-enyl)amino]but-3-en-2-ol (PubChem CID 130130248) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-[methyl(prop-2-enyl)amino]but-3-en-2-ol.

Molecular Properties

Compound Name1-[methyl(prop-2-enyl)amino]but-3-en-2-ol
PubChem CID130130248
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-[methyl(prop-2-enyl)amino]but-3-en-2-ol
SMILESC=CCN(C)CC(O)C=C
InChIInChI=1S/C8H15NO/c1-4-6-9(3)7-8(10)5-2/h4-5,8,10H,1-2,6-7H2,3H3
InChIKeyOHXRCLHMZBLBHT-UHFFFAOYSA-N
XLogP0.65
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[methyl(prop-2-enyl)amino]but-3-en-2-ol?
The IUPAC name of 1-[methyl(prop-2-enyl)amino]but-3-en-2-ol (CID 130130248) is 1-[methyl(prop-2-enyl)amino]but-3-en-2-ol.
What is the SMILES notation for 1-[methyl(prop-2-enyl)amino]but-3-en-2-ol?
The canonical SMILES for 1-[methyl(prop-2-enyl)amino]but-3-en-2-ol is C=CCN(C)CC(O)C=C.
What is the InChIKey of 1-[methyl(prop-2-enyl)amino]but-3-en-2-ol?
The InChIKey is OHXRCLHMZBLBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-6-9(3)7-8(10)5-2/h4-5,8,10H,1-2,6-7H2,3H3.
What are the key properties of 1-[methyl(prop-2-enyl)amino]but-3-en-2-ol?
1-[methyl(prop-2-enyl)amino]but-3-en-2-ol has a molecular weight of 141.21 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(prop-2-enyl)amino]but-3-en-2-ol is sourced from PubChem (CID 130130248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).