(1R,6S)-9-azatricyclo[4.3.0.02,9]non-3-ene-1-carbonitrile

C9H10N2 — CID 138975495

IUPAC(1R,6S)-9-azatricyclo[4.3.0.02,9]non-3-ene-1-carbonitrile
SMILESN#C[C@]12C3C=CC[C@H]1CCN32
InChIInChI=1S/C9H10N2/c10-6-9-7-2-1-3-8(9)11(9)5-4-7/h1,3,7-8H,2,4-5H2/t7-,8?,9+,11?/m0/s1
InChIKeyIILFYCFRTOYBQE-PRXWZZOHSA-N
MW146.19 g/mol
LogP0.91
Rot. Bonds

About (1R,6S)-9-azatricyclo[4.3.0.02,9]non-3-ene-1-carbonitrile

(1R,6S)-9-azatricyclo[4.3.0.02,9]non-3-ene-1-carbonitrile (PubChem CID 138975495) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is (1R,6S)-9-azatricyclo[4.3.0.02,9]non-3-ene-1-carbonitrile.

Molecular Properties

Compound Name(1R,6S)-9-azatricyclo[4.3.0.02,9]non-3-ene-1-carbonitrile
PubChem CID138975495
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name(1R,6S)-9-azatricyclo[4.3.0.02,9]non-3-ene-1-carbonitrile
SMILESN#C[C@]12C3C=CC[C@H]1CCN32
InChIInChI=1S/C9H10N2/c10-6-9-7-2-1-3-8(9)11(9)5-4-7/h1,3,7-8H,2,4-5H2/t7-,8?,9+,11?/m0/s1
InChIKeyIILFYCFRTOYBQE-PRXWZZOHSA-N
XLogP0.91
TPSA26.80 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,6S)-9-azatricyclo[4.3.0.02,9]non-3-ene-1-carbonitrile?
The IUPAC name of (1R,6S)-9-azatricyclo[4.3.0.02,9]non-3-ene-1-carbonitrile (CID 138975495) is (1R,6S)-9-azatricyclo[4.3.0.02,9]non-3-ene-1-carbonitrile.
What is the SMILES notation for (1R,6S)-9-azatricyclo[4.3.0.02,9]non-3-ene-1-carbonitrile?
The canonical SMILES for (1R,6S)-9-azatricyclo[4.3.0.02,9]non-3-ene-1-carbonitrile is N#C[C@]12C3C=CC[C@H]1CCN32.
What is the InChIKey of (1R,6S)-9-azatricyclo[4.3.0.02,9]non-3-ene-1-carbonitrile?
The InChIKey is IILFYCFRTOYBQE-PRXWZZOHSA-N. The full InChI is InChI=1S/C9H10N2/c10-6-9-7-2-1-3-8(9)11(9)5-4-7/h1,3,7-8H,2,4-5H2/t7-,8?,9+,11?/m0/s1.
What are the key properties of (1R,6S)-9-azatricyclo[4.3.0.02,9]non-3-ene-1-carbonitrile?
(1R,6S)-9-azatricyclo[4.3.0.02,9]non-3-ene-1-carbonitrile has a molecular weight of 146.19 g/mol, XLogP of 0.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-9-azatricyclo[4.3.0.02,9]non-3-ene-1-carbonitrile is sourced from PubChem (CID 138975495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).