(1R,2S,6S,9S)-2,6-dimethyltricyclo[7.2.1.01,6]dodec-7-ene-8-carbonitrile

C15H21N — CID 10560641

IUPAC(1R,2S,6S,9S)-2,6-dimethyltricyclo[7.2.1.01,6]dodec-7-ene-8-carbonitrile
SMILESC[C@H]1CCC[C@@]2(C)C=C(C#N)[C@H]3CC[C@@]12C3
InChIInChI=1S/C15H21N/c1-11-4-3-6-14(2)8-13(10-16)12-5-7-15(11,14)9-12/h8,11-12H,3-7,9H2,1-2H3/t11-,12-,14-,15+/m0/s1
InChIKeyOPNHBEXVDFEPJK-NZBPQXDJSA-N
MW215.34 g/mol
LogP4.06
Rot. Bonds

About (1R,2S,6S,9S)-2,6-dimethyltricyclo[7.2.1.01,6]dodec-7-ene-8-carbonitrile

(1R,2S,6S,9S)-2,6-dimethyltricyclo[7.2.1.01,6]dodec-7-ene-8-carbonitrile (PubChem CID 10560641) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is (1R,2S,6S,9S)-2,6-dimethyltricyclo[7.2.1.01,6]dodec-7-ene-8-carbonitrile.

Molecular Properties

Compound Name(1R,2S,6S,9S)-2,6-dimethyltricyclo[7.2.1.01,6]dodec-7-ene-8-carbonitrile
PubChem CID10560641
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name(1R,2S,6S,9S)-2,6-dimethyltricyclo[7.2.1.01,6]dodec-7-ene-8-carbonitrile
SMILESC[C@H]1CCC[C@@]2(C)C=C(C#N)[C@H]3CC[C@@]12C3
InChIInChI=1S/C15H21N/c1-11-4-3-6-14(2)8-13(10-16)12-5-7-15(11,14)9-12/h8,11-12H,3-7,9H2,1-2H3/t11-,12-,14-,15+/m0/s1
InChIKeyOPNHBEXVDFEPJK-NZBPQXDJSA-N
XLogP4.06
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1R,2S,6S,9S)-2,6-dimethyltricyclo[7.2.1.01,6]dodec-7-ene-8-carbonitrile with MolForge

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Related Compounds

(5S,6R,9S,10R)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-ene-10-carbonitrile
CID 10331475
(1S,4R,4aS,8aS)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalene-1-carbonitrile
CID 137642338
(1R,4R,4aS,8aR)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalene-1-carbonitrile
CID 137652172
Axinynitrile A
CID 25179735
(2S,4aS,8S)-4a,8-dimethyl-2-propan-2-yl-3,4,5,6,7,8-hexahydronaphthalene-2-carbonitrile
CID 163109819
(4S,4aR,8aS)-4,8a-dimethyl-6-propan-2-yl-1,2,3,4,7,8-hexahydronaphthalene-4a-carbonitrile
CID 163113239
(1aS,3aR,7aS)-3a,7-dimethyl-2,3,4,5-tetrahydro-1H-cyclopropa[i]indene-1a-carbonitrile
CID 134993341
Octahydro-5,5(or 8,8)-dimethylnaphthalene-2-carbonitrile
CID 6452362
(1aS,2S,7S,7aS,7bR)-1,1,7,7a-tetramethyl-2,4,5,6,7,7b-hexahydro-1aH-cyclopropa[a]naphthalene-2-carbonitrile
CID 163190078
(1R,8aR)-5,5,8a-trimethyl-1,6,7,8-tetrahydronaphthalene-1,2-dicarbonitrile
CID 14611198
2-(2,5,5,8a-Tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)acetonitrile
CID 85247737
2-(4,8-Dimethyl-1-bicyclo[3.3.1]non-3-enyl)prop-2-enenitrile
CID 18955636

Frequently Asked Questions

What is the IUPAC name of (1R,2S,6S,9S)-2,6-dimethyltricyclo[7.2.1.01,6]dodec-7-ene-8-carbonitrile?
The IUPAC name of (1R,2S,6S,9S)-2,6-dimethyltricyclo[7.2.1.01,6]dodec-7-ene-8-carbonitrile (CID 10560641) is (1R,2S,6S,9S)-2,6-dimethyltricyclo[7.2.1.01,6]dodec-7-ene-8-carbonitrile.
What is the SMILES notation for (1R,2S,6S,9S)-2,6-dimethyltricyclo[7.2.1.01,6]dodec-7-ene-8-carbonitrile?
The canonical SMILES for (1R,2S,6S,9S)-2,6-dimethyltricyclo[7.2.1.01,6]dodec-7-ene-8-carbonitrile is C[C@H]1CCC[C@@]2(C)C=C(C#N)[C@H]3CC[C@@]12C3.
What is the InChIKey of (1R,2S,6S,9S)-2,6-dimethyltricyclo[7.2.1.01,6]dodec-7-ene-8-carbonitrile?
The InChIKey is OPNHBEXVDFEPJK-NZBPQXDJSA-N. The full InChI is InChI=1S/C15H21N/c1-11-4-3-6-14(2)8-13(10-16)12-5-7-15(11,14)9-12/h8,11-12H,3-7,9H2,1-2H3/t11-,12-,14-,15+/m0/s1.
What are the key properties of (1R,2S,6S,9S)-2,6-dimethyltricyclo[7.2.1.01,6]dodec-7-ene-8-carbonitrile?
(1R,2S,6S,9S)-2,6-dimethyltricyclo[7.2.1.01,6]dodec-7-ene-8-carbonitrile has a molecular weight of 215.34 g/mol, XLogP of 4.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6S,9S)-2,6-dimethyltricyclo[7.2.1.01,6]dodec-7-ene-8-carbonitrile is sourced from PubChem (CID 10560641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).