(4R)-2-amino-5-oxo-4-[(2R)-pentan-2-yl]-4,6,7,8-tetrahydrochromene-3-carbonitrile

C15H20N2O2 — CID 2385886

IUPAC(4R)-2-amino-5-oxo-4-[(2R)-pentan-2-yl]-4,6,7,8-tetrahydrochromene-3-carbonitrile
SMILESCCC[C@@H](C)[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2
InChIInChI=1S/C15H20N2O2/c1-3-5-9(2)13-10(8-16)15(17)19-12-7-4-6-11(18)14(12)13/h9,13H,3-7,17H2,1-2H3/t9-,13-/m1/s1
InChIKeyPKZSLSOLFRCPGF-NOZJJQNGSA-N
MW260.34 g/mol
LogP2.77
Rot. Bonds3

About (4R)-2-amino-5-oxo-4-[(2R)-pentan-2-yl]-4,6,7,8-tetrahydrochromene-3-carbonitrile

(4R)-2-amino-5-oxo-4-[(2R)-pentan-2-yl]-4,6,7,8-tetrahydrochromene-3-carbonitrile (PubChem CID 2385886) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (4R)-2-amino-5-oxo-4-[(2R)-pentan-2-yl]-4,6,7,8-tetrahydrochromene-3-carbonitrile.

Molecular Properties

Compound Name(4R)-2-amino-5-oxo-4-[(2R)-pentan-2-yl]-4,6,7,8-tetrahydrochromene-3-carbonitrile
PubChem CID2385886
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(4R)-2-amino-5-oxo-4-[(2R)-pentan-2-yl]-4,6,7,8-tetrahydrochromene-3-carbonitrile
SMILESCCC[C@@H](C)[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2
InChIInChI=1S/C15H20N2O2/c1-3-5-9(2)13-10(8-16)15(17)19-12-7-4-6-11(18)14(12)13/h9,13H,3-7,17H2,1-2H3/t9-,13-/m1/s1
InChIKeyPKZSLSOLFRCPGF-NOZJJQNGSA-N
XLogP2.77
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-amino-5-oxo-4-[(2R)-pentan-2-yl]-4,6,7,8-tetrahydrochromene-3-carbonitrile?
The IUPAC name of (4R)-2-amino-5-oxo-4-[(2R)-pentan-2-yl]-4,6,7,8-tetrahydrochromene-3-carbonitrile (CID 2385886) is (4R)-2-amino-5-oxo-4-[(2R)-pentan-2-yl]-4,6,7,8-tetrahydrochromene-3-carbonitrile.
What is the SMILES notation for (4R)-2-amino-5-oxo-4-[(2R)-pentan-2-yl]-4,6,7,8-tetrahydrochromene-3-carbonitrile?
The canonical SMILES for (4R)-2-amino-5-oxo-4-[(2R)-pentan-2-yl]-4,6,7,8-tetrahydrochromene-3-carbonitrile is CCC[C@@H](C)[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2.
What is the InChIKey of (4R)-2-amino-5-oxo-4-[(2R)-pentan-2-yl]-4,6,7,8-tetrahydrochromene-3-carbonitrile?
The InChIKey is PKZSLSOLFRCPGF-NOZJJQNGSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-5-9(2)13-10(8-16)15(17)19-12-7-4-6-11(18)14(12)13/h9,13H,3-7,17H2,1-2H3/t9-,13-/m1/s1.
What are the key properties of (4R)-2-amino-5-oxo-4-[(2R)-pentan-2-yl]-4,6,7,8-tetrahydrochromene-3-carbonitrile?
(4R)-2-amino-5-oxo-4-[(2R)-pentan-2-yl]-4,6,7,8-tetrahydrochromene-3-carbonitrile has a molecular weight of 260.34 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-amino-5-oxo-4-[(2R)-pentan-2-yl]-4,6,7,8-tetrahydrochromene-3-carbonitrile is sourced from PubChem (CID 2385886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).