2-[(1S,4R)-2-bicyclo[2.2.1]heptanylidene]propanedinitrile

C10H10N2 — CID 11062657

IUPAC2-[(1S,4R)-2-bicyclo[2.2.1]heptanylidene]propanedinitrile
SMILESN#CC(C#N)=C1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C10H10N2/c11-5-9(6-12)10-4-7-1-2-8(10)3-7/h7-8H,1-4H2/t7-,8+/m1/s1
InChIKeyJVDDCRWHONVFGZ-SFYZADRCSA-N
MW158.20 g/mol
LogP2.15
Rot. Bonds

About 2-[(1S,4R)-2-bicyclo[2.2.1]heptanylidene]propanedinitrile

2-[(1S,4R)-2-bicyclo[2.2.1]heptanylidene]propanedinitrile (PubChem CID 11062657) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-[(1S,4R)-2-bicyclo[2.2.1]heptanylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(1S,4R)-2-bicyclo[2.2.1]heptanylidene]propanedinitrile
PubChem CID11062657
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name2-[(1S,4R)-2-bicyclo[2.2.1]heptanylidene]propanedinitrile
SMILESN#CC(C#N)=C1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C10H10N2/c11-5-9(6-12)10-4-7-1-2-8(10)3-7/h7-8H,1-4H2/t7-,8+/m1/s1
InChIKeyJVDDCRWHONVFGZ-SFYZADRCSA-N
XLogP2.15
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,4R)-2-propan-2-ylidenebicyclo[2.2.1]heptane
CID 96842588
2-propan-2-ylidenebicyclo[2.2.1]heptane
CID 12648921
2-(2-adamantylidene)propanedinitrile
CID 607730
2-aminobicyclo[3.2.1]oct-2-ene-3-carboximidoyl cyanide
CID 156721804
[[(1Z)-1-[(1R,4S)-2-bicyclo[2.2.1]heptanylidene]ethyl]amino]thiourea
CID 2132294
2-[(2R,5S)-2,5-dimethylcyclohexylidene]propanedinitrile
CID 12794029
2-ethenylidenebicyclo[2.2.1]heptane
CID 21311745
2-[3-(dicyanomethylidene)-2-methylcyclobutylidene]propanedinitrile
CID 88897276
2,3-di(propan-2-ylidene)bicyclo[2.2.1]heptane
CID 57216990
2-[(1Z)-1-(2-bicyclo[2.2.1]heptanylidene)-1-(2-bicyclo[2.2.1]hept-2-enyl)-2-methylpropan-2-yl]bicyclo[2.2.1]hept-2-ene
CID 123366269
3-(oxomethylidene)bicyclo[3.2.1]octan-2-one
CID 91554267
2-(8-azabicyclo[3.2.1]octan-3-ylidene)propanedinitrile
CID 138625082

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,4R)-2-bicyclo[2.2.1]heptanylidene]propanedinitrile?
The IUPAC name of 2-[(1S,4R)-2-bicyclo[2.2.1]heptanylidene]propanedinitrile (CID 11062657) is 2-[(1S,4R)-2-bicyclo[2.2.1]heptanylidene]propanedinitrile.
What is the SMILES notation for 2-[(1S,4R)-2-bicyclo[2.2.1]heptanylidene]propanedinitrile?
The canonical SMILES for 2-[(1S,4R)-2-bicyclo[2.2.1]heptanylidene]propanedinitrile is N#CC(C#N)=C1C[C@@H]2CC[C@H]1C2.
What is the InChIKey of 2-[(1S,4R)-2-bicyclo[2.2.1]heptanylidene]propanedinitrile?
The InChIKey is JVDDCRWHONVFGZ-SFYZADRCSA-N. The full InChI is InChI=1S/C10H10N2/c11-5-9(6-12)10-4-7-1-2-8(10)3-7/h7-8H,1-4H2/t7-,8+/m1/s1.
What are the key properties of 2-[(1S,4R)-2-bicyclo[2.2.1]heptanylidene]propanedinitrile?
2-[(1S,4R)-2-bicyclo[2.2.1]heptanylidene]propanedinitrile has a molecular weight of 158.20 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,4R)-2-bicyclo[2.2.1]heptanylidene]propanedinitrile is sourced from PubChem (CID 11062657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).