3-[(E)-3-aminoprop-1-enyl]-2-methylphenol

C10H13NO — CID 117276201

IUPAC3-[(E)-3-aminoprop-1-enyl]-2-methylphenol
SMILESCc1c(O)cccc1/C=C/CN
InChIInChI=1S/C10H13NO/c1-8-9(5-3-7-11)4-2-6-10(8)12/h2-6,12H,7,11H2,1H3/b5-3+
InChIKeyCXBWCFPIRMCPRX-HWKANZROSA-N
MW163.22 g/mol
LogP1.67
Rot. Bonds2

About 3-[(E)-3-aminoprop-1-enyl]-2-methylphenol

3-[(E)-3-aminoprop-1-enyl]-2-methylphenol (PubChem CID 117276201) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 3-[(E)-3-aminoprop-1-enyl]-2-methylphenol.

Molecular Properties

Compound Name3-[(E)-3-aminoprop-1-enyl]-2-methylphenol
PubChem CID117276201
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name3-[(E)-3-aminoprop-1-enyl]-2-methylphenol
SMILESCc1c(O)cccc1/C=C/CN
InChIInChI=1S/C10H13NO/c1-8-9(5-3-7-11)4-2-6-10(8)12/h2-6,12H,7,11H2,1H3/b5-3+
InChIKeyCXBWCFPIRMCPRX-HWKANZROSA-N
XLogP1.67
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-aminoprop-1-enyl]-2-methylphenol?
The IUPAC name of 3-[(E)-3-aminoprop-1-enyl]-2-methylphenol (CID 117276201) is 3-[(E)-3-aminoprop-1-enyl]-2-methylphenol.
What is the SMILES notation for 3-[(E)-3-aminoprop-1-enyl]-2-methylphenol?
The canonical SMILES for 3-[(E)-3-aminoprop-1-enyl]-2-methylphenol is Cc1c(O)cccc1/C=C/CN.
What is the InChIKey of 3-[(E)-3-aminoprop-1-enyl]-2-methylphenol?
The InChIKey is CXBWCFPIRMCPRX-HWKANZROSA-N. The full InChI is InChI=1S/C10H13NO/c1-8-9(5-3-7-11)4-2-6-10(8)12/h2-6,12H,7,11H2,1H3/b5-3+.
What are the key properties of 3-[(E)-3-aminoprop-1-enyl]-2-methylphenol?
3-[(E)-3-aminoprop-1-enyl]-2-methylphenol has a molecular weight of 163.22 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-aminoprop-1-enyl]-2-methylphenol is sourced from PubChem (CID 117276201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).