(4-amino-2-phenylpent-2-enyl)phosphonic acid

C11H16NO3P — CID 54459364

IUPAC(4-amino-2-phenylpent-2-enyl)phosphonic acid
SMILESCC(N)C=C(CP(=O)(O)O)c1ccccc1
InChIInChI=1S/C11H16NO3P/c1-9(12)7-11(8-16(13,14)15)10-5-3-2-4-6-10/h2-7,9H,8,12H2,1H3,(H2,13,14,15)
InChIKeyXANDZRMODSVIFY-UHFFFAOYSA-N
MW241.23 g/mol
LogP1.59
Rot. Bonds4

About (4-amino-2-phenylpent-2-enyl)phosphonic acid

(4-amino-2-phenylpent-2-enyl)phosphonic acid (PubChem CID 54459364) has the molecular formula C11H16NO3P and a molecular weight of 241.23 g/mol. Its IUPAC name is (4-amino-2-phenylpent-2-enyl)phosphonic acid.

Molecular Properties

Compound Name(4-amino-2-phenylpent-2-enyl)phosphonic acid
PubChem CID54459364
Molecular FormulaC11H16NO3P
Molecular Weight241.23 g/mol
Exact Mass241.09
IUPAC Name(4-amino-2-phenylpent-2-enyl)phosphonic acid
SMILESCC(N)C=C(CP(=O)(O)O)c1ccccc1
InChIInChI=1S/C11H16NO3P/c1-9(12)7-11(8-16(13,14)15)10-5-3-2-4-6-10/h2-7,9H,8,12H2,1H3,(H2,13,14,15)
InChIKeyXANDZRMODSVIFY-UHFFFAOYSA-N
XLogP1.59
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.23
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-amino-2-phenylpent-2-enyl)phosphonic acid?
The IUPAC name of (4-amino-2-phenylpent-2-enyl)phosphonic acid (CID 54459364) is (4-amino-2-phenylpent-2-enyl)phosphonic acid.
What is the SMILES notation for (4-amino-2-phenylpent-2-enyl)phosphonic acid?
The canonical SMILES for (4-amino-2-phenylpent-2-enyl)phosphonic acid is CC(N)C=C(CP(=O)(O)O)c1ccccc1.
What is the InChIKey of (4-amino-2-phenylpent-2-enyl)phosphonic acid?
The InChIKey is XANDZRMODSVIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16NO3P/c1-9(12)7-11(8-16(13,14)15)10-5-3-2-4-6-10/h2-7,9H,8,12H2,1H3,(H2,13,14,15).
What are the key properties of (4-amino-2-phenylpent-2-enyl)phosphonic acid?
(4-amino-2-phenylpent-2-enyl)phosphonic acid has a molecular weight of 241.23 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-phenylpent-2-enyl)phosphonic acid is sourced from PubChem (CID 54459364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).