(4R)-3-amino-4-butyl-2-phenylcyclobut-2-en-1-one

C14H17NO — CID 76764195

IUPAC(4R)-3-amino-4-butyl-2-phenylcyclobut-2-en-1-one
SMILESCCCC[C@H]1C(=O)C(c2ccccc2)=C1N
InChIInChI=1S/C14H17NO/c1-2-3-9-11-13(15)12(14(11)16)10-7-5-4-6-8-10/h4-8,11H,2-3,9,15H2,1H3/t11-/m1/s1
InChIKeyXOLZYAZFBYYFGE-LLVKDONJSA-N
MW215.30 g/mol
LogP2.75
Rot. Bonds4

About (4R)-3-amino-4-butyl-2-phenylcyclobut-2-en-1-one

(4R)-3-amino-4-butyl-2-phenylcyclobut-2-en-1-one (PubChem CID 76764195) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is (4R)-3-amino-4-butyl-2-phenylcyclobut-2-en-1-one.

Molecular Properties

Compound Name(4R)-3-amino-4-butyl-2-phenylcyclobut-2-en-1-one
PubChem CID76764195
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name(4R)-3-amino-4-butyl-2-phenylcyclobut-2-en-1-one
SMILESCCCC[C@H]1C(=O)C(c2ccccc2)=C1N
InChIInChI=1S/C14H17NO/c1-2-3-9-11-13(15)12(14(11)16)10-7-5-4-6-8-10/h4-8,11H,2-3,9,15H2,1H3/t11-/m1/s1
InChIKeyXOLZYAZFBYYFGE-LLVKDONJSA-N
XLogP2.75
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-amino-4-butyl-2-phenylcyclobut-2-en-1-one?
The IUPAC name of (4R)-3-amino-4-butyl-2-phenylcyclobut-2-en-1-one (CID 76764195) is (4R)-3-amino-4-butyl-2-phenylcyclobut-2-en-1-one.
What is the SMILES notation for (4R)-3-amino-4-butyl-2-phenylcyclobut-2-en-1-one?
The canonical SMILES for (4R)-3-amino-4-butyl-2-phenylcyclobut-2-en-1-one is CCCC[C@H]1C(=O)C(c2ccccc2)=C1N.
What is the InChIKey of (4R)-3-amino-4-butyl-2-phenylcyclobut-2-en-1-one?
The InChIKey is XOLZYAZFBYYFGE-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17NO/c1-2-3-9-11-13(15)12(14(11)16)10-7-5-4-6-8-10/h4-8,11H,2-3,9,15H2,1H3/t11-/m1/s1.
What are the key properties of (4R)-3-amino-4-butyl-2-phenylcyclobut-2-en-1-one?
(4R)-3-amino-4-butyl-2-phenylcyclobut-2-en-1-one has a molecular weight of 215.30 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-amino-4-butyl-2-phenylcyclobut-2-en-1-one is sourced from PubChem (CID 76764195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).