(3R)-3-amino-1-phenyl-1-azaspiro[3.5]nonan-2-one

C14H18N2O — CID 129452540

IUPAC(3R)-3-amino-1-phenyl-1-azaspiro[3.5]nonan-2-one
SMILESN[C@H]1C(=O)N(c2ccccc2)C12CCCCC2
InChIInChI=1S/C14H18N2O/c15-12-13(17)16(11-7-3-1-4-8-11)14(12)9-5-2-6-10-14/h1,3-4,7-8,12H,2,5-6,9-10,15H2/t12-/m0/s1
InChIKeyYYNSQSDLHOMIHV-LBPRGKRZSA-N
MW230.31 g/mol
LogP2.06
Rot. Bonds1

About (3R)-3-amino-1-phenyl-1-azaspiro[3.5]nonan-2-one

(3R)-3-amino-1-phenyl-1-azaspiro[3.5]nonan-2-one (PubChem CID 129452540) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is (3R)-3-amino-1-phenyl-1-azaspiro[3.5]nonan-2-one.

Molecular Properties

Compound Name(3R)-3-amino-1-phenyl-1-azaspiro[3.5]nonan-2-one
PubChem CID129452540
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name(3R)-3-amino-1-phenyl-1-azaspiro[3.5]nonan-2-one
SMILESN[C@H]1C(=O)N(c2ccccc2)C12CCCCC2
InChIInChI=1S/C14H18N2O/c15-12-13(17)16(11-7-3-1-4-8-11)14(12)9-5-2-6-10-14/h1,3-4,7-8,12H,2,5-6,9-10,15H2/t12-/m0/s1
InChIKeyYYNSQSDLHOMIHV-LBPRGKRZSA-N
XLogP2.06
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-1-phenyl-1-azaspiro[3.5]nonan-2-one?
The IUPAC name of (3R)-3-amino-1-phenyl-1-azaspiro[3.5]nonan-2-one (CID 129452540) is (3R)-3-amino-1-phenyl-1-azaspiro[3.5]nonan-2-one.
What is the SMILES notation for (3R)-3-amino-1-phenyl-1-azaspiro[3.5]nonan-2-one?
The canonical SMILES for (3R)-3-amino-1-phenyl-1-azaspiro[3.5]nonan-2-one is N[C@H]1C(=O)N(c2ccccc2)C12CCCCC2.
What is the InChIKey of (3R)-3-amino-1-phenyl-1-azaspiro[3.5]nonan-2-one?
The InChIKey is YYNSQSDLHOMIHV-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N2O/c15-12-13(17)16(11-7-3-1-4-8-11)14(12)9-5-2-6-10-14/h1,3-4,7-8,12H,2,5-6,9-10,15H2/t12-/m0/s1.
What are the key properties of (3R)-3-amino-1-phenyl-1-azaspiro[3.5]nonan-2-one?
(3R)-3-amino-1-phenyl-1-azaspiro[3.5]nonan-2-one has a molecular weight of 230.31 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-1-phenyl-1-azaspiro[3.5]nonan-2-one is sourced from PubChem (CID 129452540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).