1-phenyl-N-prop-2-enoxymethanamine

C10H13NO — CID 10997373

IUPAC1-phenyl-N-prop-2-enoxymethanamine
SMILESC=CCONCc1ccccc1
InChIInChI=1S/C10H13NO/c1-2-8-12-11-9-10-6-4-3-5-7-10/h2-7,11H,1,8-9H2
InChIKeyRERYSVAKOZDNIJ-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.89
Rot. Bonds5

About 1-phenyl-N-prop-2-enoxymethanamine

1-phenyl-N-prop-2-enoxymethanamine (PubChem CID 10997373) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-phenyl-N-prop-2-enoxymethanamine.

Molecular Properties

Compound Name1-phenyl-N-prop-2-enoxymethanamine
PubChem CID10997373
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name1-phenyl-N-prop-2-enoxymethanamine
SMILESC=CCONCc1ccccc1
InChIInChI=1S/C10H13NO/c1-2-8-12-11-9-10-6-4-3-5-7-10/h2-7,11H,1,8-9H2
InChIKeyRERYSVAKOZDNIJ-UHFFFAOYSA-N
XLogP1.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-prop-2-enoxymethanamine?
The IUPAC name of 1-phenyl-N-prop-2-enoxymethanamine (CID 10997373) is 1-phenyl-N-prop-2-enoxymethanamine.
What is the SMILES notation for 1-phenyl-N-prop-2-enoxymethanamine?
The canonical SMILES for 1-phenyl-N-prop-2-enoxymethanamine is C=CCONCc1ccccc1.
What is the InChIKey of 1-phenyl-N-prop-2-enoxymethanamine?
The InChIKey is RERYSVAKOZDNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-2-8-12-11-9-10-6-4-3-5-7-10/h2-7,11H,1,8-9H2.
What are the key properties of 1-phenyl-N-prop-2-enoxymethanamine?
1-phenyl-N-prop-2-enoxymethanamine has a molecular weight of 163.22 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-prop-2-enoxymethanamine is sourced from PubChem (CID 10997373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).