(3R,5R)-1-azatricyclo[3.3.1.13,7]decane-4-carbonitrile

C10H14N2 — CID 129382347

IUPAC(3R,5R)-1-azatricyclo[3.3.1.13,7]decane-4-carbonitrile
SMILESN#CC1[C@H]2CC3C[C@H]1CN(C3)C2
InChIInChI=1S/C10H14N2/c11-3-10-8-1-7-2-9(10)6-12(4-7)5-8/h7-10H,1-2,4-6H2/t7?,8-,9-,10?/m0/s1
InChIKeyBABMIZCGANKZIK-ZNHWEVIXSA-N
MW162.24 g/mol
LogP1.10
Rot. Bonds

About (3R,5R)-1-azatricyclo[3.3.1.13,7]decane-4-carbonitrile

(3R,5R)-1-azatricyclo[3.3.1.13,7]decane-4-carbonitrile (PubChem CID 129382347) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is (3R,5R)-1-azatricyclo[3.3.1.13,7]decane-4-carbonitrile.

Molecular Properties

Compound Name(3R,5R)-1-azatricyclo[3.3.1.13,7]decane-4-carbonitrile
PubChem CID129382347
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name(3R,5R)-1-azatricyclo[3.3.1.13,7]decane-4-carbonitrile
SMILESN#CC1[C@H]2CC3C[C@H]1CN(C3)C2
InChIInChI=1S/C10H14N2/c11-3-10-8-1-7-2-9(10)6-12(4-7)5-8/h7-10H,1-2,4-6H2/t7?,8-,9-,10?/m0/s1
InChIKeyBABMIZCGANKZIK-ZNHWEVIXSA-N
XLogP1.10
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-1-azatricyclo[3.3.1.13,7]decane-4-carbonitrile?
The IUPAC name of (3R,5R)-1-azatricyclo[3.3.1.13,7]decane-4-carbonitrile (CID 129382347) is (3R,5R)-1-azatricyclo[3.3.1.13,7]decane-4-carbonitrile.
What is the SMILES notation for (3R,5R)-1-azatricyclo[3.3.1.13,7]decane-4-carbonitrile?
The canonical SMILES for (3R,5R)-1-azatricyclo[3.3.1.13,7]decane-4-carbonitrile is N#CC1[C@H]2CC3C[C@H]1CN(C3)C2.
What is the InChIKey of (3R,5R)-1-azatricyclo[3.3.1.13,7]decane-4-carbonitrile?
The InChIKey is BABMIZCGANKZIK-ZNHWEVIXSA-N. The full InChI is InChI=1S/C10H14N2/c11-3-10-8-1-7-2-9(10)6-12(4-7)5-8/h7-10H,1-2,4-6H2/t7?,8-,9-,10?/m0/s1.
What are the key properties of (3R,5R)-1-azatricyclo[3.3.1.13,7]decane-4-carbonitrile?
(3R,5R)-1-azatricyclo[3.3.1.13,7]decane-4-carbonitrile has a molecular weight of 162.24 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-1-azatricyclo[3.3.1.13,7]decane-4-carbonitrile is sourced from PubChem (CID 129382347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).