(3S,7R)-10-benzhydryl-1-azatricyclo[5.3.1.03,8]undecan-9-one

C23H25NO — CID 10382047

IUPAC(3S,7R)-10-benzhydryl-1-azatricyclo[5.3.1.03,8]undecan-9-one
SMILESO=C1C2[C@@H]3CCC[C@H]2CN(C3)C1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H25NO/c25-23-21-18-12-7-13-19(21)15-24(14-18)22(23)20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,18-22H,7,12-15H2/t18-,19+,21?,22?
InChIKeyDCJHPAJHJYDJGV-IVCWUUCSSA-N
MW331.46 g/mol
LogP4.12
Rot. Bonds3

About (3S,7R)-10-benzhydryl-1-azatricyclo[5.3.1.03,8]undecan-9-one

(3S,7R)-10-benzhydryl-1-azatricyclo[5.3.1.03,8]undecan-9-one (PubChem CID 10382047) has the molecular formula C23H25NO and a molecular weight of 331.46 g/mol. Its IUPAC name is (3S,7R)-10-benzhydryl-1-azatricyclo[5.3.1.03,8]undecan-9-one.

Molecular Properties

Compound Name(3S,7R)-10-benzhydryl-1-azatricyclo[5.3.1.03,8]undecan-9-one
PubChem CID10382047
Molecular FormulaC23H25NO
Molecular Weight331.46 g/mol
Exact Mass331.19
IUPAC Name(3S,7R)-10-benzhydryl-1-azatricyclo[5.3.1.03,8]undecan-9-one
SMILESO=C1C2[C@@H]3CCC[C@H]2CN(C3)C1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H25NO/c25-23-21-18-12-7-13-19(21)15-24(14-18)22(23)20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,18-22H,7,12-15H2/t18-,19+,21?,22?
InChIKeyDCJHPAJHJYDJGV-IVCWUUCSSA-N
XLogP4.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3S,7R)-10-benzhydryl-1-azatricyclo[5.3.1.03,8]undecan-9-one?
The IUPAC name of (3S,7R)-10-benzhydryl-1-azatricyclo[5.3.1.03,8]undecan-9-one (CID 10382047) is (3S,7R)-10-benzhydryl-1-azatricyclo[5.3.1.03,8]undecan-9-one.
What is the SMILES notation for (3S,7R)-10-benzhydryl-1-azatricyclo[5.3.1.03,8]undecan-9-one?
The canonical SMILES for (3S,7R)-10-benzhydryl-1-azatricyclo[5.3.1.03,8]undecan-9-one is O=C1C2[C@@H]3CCC[C@H]2CN(C3)C1C(c1ccccc1)c1ccccc1.
What is the InChIKey of (3S,7R)-10-benzhydryl-1-azatricyclo[5.3.1.03,8]undecan-9-one?
The InChIKey is DCJHPAJHJYDJGV-IVCWUUCSSA-N. The full InChI is InChI=1S/C23H25NO/c25-23-21-18-12-7-13-19(21)15-24(14-18)22(23)20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,18-22H,7,12-15H2/t18-,19+,21?,22?.
What are the key properties of (3S,7R)-10-benzhydryl-1-azatricyclo[5.3.1.03,8]undecan-9-one?
(3S,7R)-10-benzhydryl-1-azatricyclo[5.3.1.03,8]undecan-9-one has a molecular weight of 331.46 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,7R)-10-benzhydryl-1-azatricyclo[5.3.1.03,8]undecan-9-one is sourced from PubChem (CID 10382047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).