(1S,2S,7R,8R)-tricyclo[6.2.1.02,7]undec-9-en-11-imine

C11H15N — CID 102035380

IUPAC(1S,2S,7R,8R)-tricyclo[6.2.1.02,7]undec-9-en-11-imine
SMILES[H]/N=C1/[C@H]2C=C[C@@H]1[C@@H]1CCCC[C@@H]12
InChIInChI=1S/C11H15N/c12-11-9-5-6-10(11)8-4-2-1-3-7(8)9/h5-10,12H,1-4H2/b12-11-/t7-,8+,9-,10+/m0/s1
InChIKeyOMUGHVHJAWVLSO-IWWJHWEOSA-N
MW161.25 g/mol
LogP2.63
Rot. Bonds

About (1S,2S,7R,8R)-tricyclo[6.2.1.02,7]undec-9-en-11-imine

(1S,2S,7R,8R)-tricyclo[6.2.1.02,7]undec-9-en-11-imine (PubChem CID 102035380) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is (1S,2S,7R,8R)-tricyclo[6.2.1.02,7]undec-9-en-11-imine.

Molecular Properties

Compound Name(1S,2S,7R,8R)-tricyclo[6.2.1.02,7]undec-9-en-11-imine
PubChem CID102035380
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name(1S,2S,7R,8R)-tricyclo[6.2.1.02,7]undec-9-en-11-imine
SMILES[H]/N=C1/[C@H]2C=C[C@@H]1[C@@H]1CCCC[C@@H]12
InChIInChI=1S/C11H15N/c12-11-9-5-6-10(11)8-4-2-1-3-7(8)9/h5-10,12H,1-4H2/b12-11-/t7-,8+,9-,10+/m0/s1
InChIKeyOMUGHVHJAWVLSO-IWWJHWEOSA-N
XLogP2.63
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,7R,8R)-tricyclo[6.2.1.02,7]undec-9-en-11-imine?
The IUPAC name of (1S,2S,7R,8R)-tricyclo[6.2.1.02,7]undec-9-en-11-imine (CID 102035380) is (1S,2S,7R,8R)-tricyclo[6.2.1.02,7]undec-9-en-11-imine.
What is the SMILES notation for (1S,2S,7R,8R)-tricyclo[6.2.1.02,7]undec-9-en-11-imine?
The canonical SMILES for (1S,2S,7R,8R)-tricyclo[6.2.1.02,7]undec-9-en-11-imine is [H]/N=C1/[C@H]2C=C[C@@H]1[C@@H]1CCCC[C@@H]12.
What is the InChIKey of (1S,2S,7R,8R)-tricyclo[6.2.1.02,7]undec-9-en-11-imine?
The InChIKey is OMUGHVHJAWVLSO-IWWJHWEOSA-N. The full InChI is InChI=1S/C11H15N/c12-11-9-5-6-10(11)8-4-2-1-3-7(8)9/h5-10,12H,1-4H2/b12-11-/t7-,8+,9-,10+/m0/s1.
What are the key properties of (1S,2S,7R,8R)-tricyclo[6.2.1.02,7]undec-9-en-11-imine?
(1S,2S,7R,8R)-tricyclo[6.2.1.02,7]undec-9-en-11-imine has a molecular weight of 161.25 g/mol, XLogP of 2.63, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,7R,8R)-tricyclo[6.2.1.02,7]undec-9-en-11-imine is sourced from PubChem (CID 102035380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).