(1S,4R,5S,8R)-tetracyclo[6.4.0.04,12.05,9]dodec-10-ene-10,11-dicarbonitrile

C14H14N2 — CID 10822355

IUPAC(1S,4R,5S,8R)-tetracyclo[6.4.0.04,12.05,9]dodec-10-ene-10,11-dicarbonitrile
SMILESN#CC1=C(C#N)C2[C@H]3CC[C@@H]2[C@@H]2CC[C@H]3C12
InChIInChI=1S/C14H14N2/c15-5-11-12(6-16)14-9-3-4-10(14)8-2-1-7(9)13(8)11/h7-10,13-14H,1-4H2/t7-,8+,9+,10-,13?,14?
InChIKeyUFZYPPQKUSBCLL-XZQMURHDSA-N
MW210.28 g/mol
LogP2.64
Rot. Bonds

About (1S,4R,5S,8R)-tetracyclo[6.4.0.04,12.05,9]dodec-10-ene-10,11-dicarbonitrile

(1S,4R,5S,8R)-tetracyclo[6.4.0.04,12.05,9]dodec-10-ene-10,11-dicarbonitrile (PubChem CID 10822355) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is (1S,4R,5S,8R)-tetracyclo[6.4.0.04,12.05,9]dodec-10-ene-10,11-dicarbonitrile.

Molecular Properties

Compound Name(1S,4R,5S,8R)-tetracyclo[6.4.0.04,12.05,9]dodec-10-ene-10,11-dicarbonitrile
PubChem CID10822355
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name(1S,4R,5S,8R)-tetracyclo[6.4.0.04,12.05,9]dodec-10-ene-10,11-dicarbonitrile
SMILESN#CC1=C(C#N)C2[C@H]3CC[C@@H]2[C@@H]2CC[C@H]3C12
InChIInChI=1S/C14H14N2/c15-5-11-12(6-16)14-9-3-4-10(14)8-2-1-7(9)13(8)11/h7-10,13-14H,1-4H2/t7-,8+,9+,10-,13?,14?
InChIKeyUFZYPPQKUSBCLL-XZQMURHDSA-N
XLogP2.64
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S,4R,5S,8R)-tetracyclo[6.4.0.04,12.05,9]dodec-10-ene-10,11-dicarbonitrile with MolForge

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Related Compounds

(1R,3R,6R,7S,8S)-2,2,6-trimethyltricyclo[5.3.1.03,8]undec-9-ene-9,10-dicarbonitrile
CID 10538037
(1S,2R,9R,10R,13S,14S)-pentacyclo[7.5.0.02,14.03,8.010,13]tetradeca-3(8),4,6-triene-6-carbonitrile
CID 98163757
(3R,7S)-5,5-dimethyl-5-silatricyclo[5.3.1.03,8]undec-9-ene-9,10-dicarbonitrile
CID 10490380
(2R)-4-methyl-6-oxo-2-sulfanyl-2,5-dihydro-1H-pyridine-3-carbonitrile
CID 51703716
(1R,2S,6R,7R,8R)-11-oxotricyclo[5.3.1.02,6]undec-9-ene-8-carbonitrile
CID 10679141
2,6-diamino-4-[(1R)-cyclohex-3-en-1-yl]-4H-thiopyran-3,5-dicarbonitrile
CID 790242
5-methylcyclopenta-1,3-diene-1,2,3,4-tetracarbonitrile
CID 126498452
cyclooctene-1,2,3-tricarbonitrile
CID 90751459
(8S,12R)-4,10-dioxatetracyclo[5.5.2.02,6.08,12]tetradecane-3,5,9,11-tetrone
CID 59360185
2,6-dichloro-4-cyclopropylbenzonitrile
CID 167443793
4-cyclopropyl-3,5-difluorobenzonitrile
CID 118879698
5-ethylcyclopenta-2,4-diene-1,2,3,4-tetracarbonitrile
CID 88944568

Frequently Asked Questions

What is the IUPAC name of (1S,4R,5S,8R)-tetracyclo[6.4.0.04,12.05,9]dodec-10-ene-10,11-dicarbonitrile?
The IUPAC name of (1S,4R,5S,8R)-tetracyclo[6.4.0.04,12.05,9]dodec-10-ene-10,11-dicarbonitrile (CID 10822355) is (1S,4R,5S,8R)-tetracyclo[6.4.0.04,12.05,9]dodec-10-ene-10,11-dicarbonitrile.
What is the SMILES notation for (1S,4R,5S,8R)-tetracyclo[6.4.0.04,12.05,9]dodec-10-ene-10,11-dicarbonitrile?
The canonical SMILES for (1S,4R,5S,8R)-tetracyclo[6.4.0.04,12.05,9]dodec-10-ene-10,11-dicarbonitrile is N#CC1=C(C#N)C2[C@H]3CC[C@@H]2[C@@H]2CC[C@H]3C12.
What is the InChIKey of (1S,4R,5S,8R)-tetracyclo[6.4.0.04,12.05,9]dodec-10-ene-10,11-dicarbonitrile?
The InChIKey is UFZYPPQKUSBCLL-XZQMURHDSA-N. The full InChI is InChI=1S/C14H14N2/c15-5-11-12(6-16)14-9-3-4-10(14)8-2-1-7(9)13(8)11/h7-10,13-14H,1-4H2/t7-,8+,9+,10-,13?,14?.
What are the key properties of (1S,4R,5S,8R)-tetracyclo[6.4.0.04,12.05,9]dodec-10-ene-10,11-dicarbonitrile?
(1S,4R,5S,8R)-tetracyclo[6.4.0.04,12.05,9]dodec-10-ene-10,11-dicarbonitrile has a molecular weight of 210.28 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,5S,8R)-tetracyclo[6.4.0.04,12.05,9]dodec-10-ene-10,11-dicarbonitrile is sourced from PubChem (CID 10822355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).