2-[(2R)-2-aminobut-3-en-2-yl]-4,6-dichlorophenol

C10H11Cl2NO — CID 130605702

IUPAC2-[(2R)-2-aminobut-3-en-2-yl]-4,6-dichlorophenol
SMILESC=C[C@@](C)(N)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C10H11Cl2NO/c1-3-10(2,13)7-4-6(11)5-8(12)9(7)14/h3-5,14H,1,13H2,2H3/t10-/m1/s1
InChIKeyNXYPGRYFVMMHRF-SNVBAGLBSA-N
MW232.11 g/mol
LogP3.06
Rot. Bonds2

About 2-[(2R)-2-aminobut-3-en-2-yl]-4,6-dichlorophenol

2-[(2R)-2-aminobut-3-en-2-yl]-4,6-dichlorophenol (PubChem CID 130605702) has the molecular formula C10H11Cl2NO and a molecular weight of 232.11 g/mol. Its IUPAC name is 2-[(2R)-2-aminobut-3-en-2-yl]-4,6-dichlorophenol.

Molecular Properties

Compound Name2-[(2R)-2-aminobut-3-en-2-yl]-4,6-dichlorophenol
PubChem CID130605702
Molecular FormulaC10H11Cl2NO
Molecular Weight232.11 g/mol
Exact Mass231.02
IUPAC Name2-[(2R)-2-aminobut-3-en-2-yl]-4,6-dichlorophenol
SMILESC=C[C@@](C)(N)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C10H11Cl2NO/c1-3-10(2,13)7-4-6(11)5-8(12)9(7)14/h3-5,14H,1,13H2,2H3/t10-/m1/s1
InChIKeyNXYPGRYFVMMHRF-SNVBAGLBSA-N
XLogP3.06
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-aminobut-3-en-2-yl]-4,6-dichlorophenol?
The IUPAC name of 2-[(2R)-2-aminobut-3-en-2-yl]-4,6-dichlorophenol (CID 130605702) is 2-[(2R)-2-aminobut-3-en-2-yl]-4,6-dichlorophenol.
What is the SMILES notation for 2-[(2R)-2-aminobut-3-en-2-yl]-4,6-dichlorophenol?
The canonical SMILES for 2-[(2R)-2-aminobut-3-en-2-yl]-4,6-dichlorophenol is C=C[C@@](C)(N)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2-[(2R)-2-aminobut-3-en-2-yl]-4,6-dichlorophenol?
The InChIKey is NXYPGRYFVMMHRF-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H11Cl2NO/c1-3-10(2,13)7-4-6(11)5-8(12)9(7)14/h3-5,14H,1,13H2,2H3/t10-/m1/s1.
What are the key properties of 2-[(2R)-2-aminobut-3-en-2-yl]-4,6-dichlorophenol?
2-[(2R)-2-aminobut-3-en-2-yl]-4,6-dichlorophenol has a molecular weight of 232.11 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-aminobut-3-en-2-yl]-4,6-dichlorophenol is sourced from PubChem (CID 130605702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).