3-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]pyrazine-2-carbonitrile

C15H18N4 — CID 95627667

IUPAC3-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCC[C@]2(CC=CCC2)C1
InChIInChI=1S/C15H18N4/c16-11-13-14(18-9-8-17-13)19-10-4-7-15(12-19)5-2-1-3-6-15/h1-2,8-9H,3-7,10,12H2/t15-/m1/s1
InChIKeyBHRORASGDBLUGR-OAHLLOKOSA-N
MW254.34 g/mol
LogP2.67
Rot. Bonds1

About 3-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]pyrazine-2-carbonitrile

3-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]pyrazine-2-carbonitrile (PubChem CID 95627667) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 3-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]pyrazine-2-carbonitrile
PubChem CID95627667
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name3-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCC[C@]2(CC=CCC2)C1
InChIInChI=1S/C15H18N4/c16-11-13-14(18-9-8-17-13)19-10-4-7-15(12-19)5-2-1-3-6-15/h1-2,8-9H,3-7,10,12H2/t15-/m1/s1
InChIKeyBHRORASGDBLUGR-OAHLLOKOSA-N
XLogP2.67
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]pyrazine-2-carbonitrile (CID 95627667) is 3-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]pyrazine-2-carbonitrile is N#Cc1nccnc1N1CCC[C@]2(CC=CCC2)C1.
What is the InChIKey of 3-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]pyrazine-2-carbonitrile?
The InChIKey is BHRORASGDBLUGR-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H18N4/c16-11-13-14(18-9-8-17-13)19-10-4-7-15(12-19)5-2-1-3-6-15/h1-2,8-9H,3-7,10,12H2/t15-/m1/s1.
What are the key properties of 3-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]pyrazine-2-carbonitrile?
3-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]pyrazine-2-carbonitrile has a molecular weight of 254.34 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 95627667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).