2-amino-3-(4-ethenylphenyl)propanal;methane

C12H17NO — CID 145160509

IUPAC2-amino-3-(4-ethenylphenyl)propanal;methane
SMILESC.C=Cc1ccc(CC(N)C=O)cc1
InChIInChI=1S/C11H13NO.CH4/c1-2-9-3-5-10(6-4-9)7-11(12)8-13;/h2-6,8,11H,1,7,12H2;1H4
InChIKeyLPCSOJZVRXKNSU-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.03
Rot. Bonds4

About 2-amino-3-(4-ethenylphenyl)propanal;methane

2-amino-3-(4-ethenylphenyl)propanal;methane (PubChem CID 145160509) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-amino-3-(4-ethenylphenyl)propanal;methane.

Molecular Properties

Compound Name2-amino-3-(4-ethenylphenyl)propanal;methane
PubChem CID145160509
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-amino-3-(4-ethenylphenyl)propanal;methane
SMILESC.C=Cc1ccc(CC(N)C=O)cc1
InChIInChI=1S/C11H13NO.CH4/c1-2-9-3-5-10(6-4-9)7-11(12)8-13;/h2-6,8,11H,1,7,12H2;1H4
InChIKeyLPCSOJZVRXKNSU-UHFFFAOYSA-N
XLogP2.03
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-ethenylphenyl)propanal;methane?
The IUPAC name of 2-amino-3-(4-ethenylphenyl)propanal;methane (CID 145160509) is 2-amino-3-(4-ethenylphenyl)propanal;methane.
What is the SMILES notation for 2-amino-3-(4-ethenylphenyl)propanal;methane?
The canonical SMILES for 2-amino-3-(4-ethenylphenyl)propanal;methane is C.C=Cc1ccc(CC(N)C=O)cc1.
What is the InChIKey of 2-amino-3-(4-ethenylphenyl)propanal;methane?
The InChIKey is LPCSOJZVRXKNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO.CH4/c1-2-9-3-5-10(6-4-9)7-11(12)8-13;/h2-6,8,11H,1,7,12H2;1H4.
What are the key properties of 2-amino-3-(4-ethenylphenyl)propanal;methane?
2-amino-3-(4-ethenylphenyl)propanal;methane has a molecular weight of 191.27 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-ethenylphenyl)propanal;methane is sourced from PubChem (CID 145160509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).