(1S,2R,6R,7S)-10,10-dimethyl-3,5-diphenyl-3,4-diazatricyclo[5.2.1.02,6]dec-4-ene

C22H24N2 — CID 11878740

IUPAC(1S,2R,6R,7S)-10,10-dimethyl-3,5-diphenyl-3,4-diazatricyclo[5.2.1.02,6]dec-4-ene
SMILESCC1(C)[C@@H]2CC[C@H]1[C@H]1C(c3ccccc3)=NN(c3ccccc3)[C@@H]12
InChIInChI=1S/C22H24N2/c1-22(2)17-13-14-18(22)21-19(17)20(15-9-5-3-6-10-15)23-24(21)16-11-7-4-8-12-16/h3-12,17-19,21H,13-14H2,1-2H3/t17-,18+,19-,21+/m0/s1
InChIKeyZDLCCSXUCSBHBK-YOUFYPILSA-N
MW316.45 g/mol
LogP4.96
Rot. Bonds2

About (1S,2R,6R,7S)-10,10-dimethyl-3,5-diphenyl-3,4-diazatricyclo[5.2.1.02,6]dec-4-ene

(1S,2R,6R,7S)-10,10-dimethyl-3,5-diphenyl-3,4-diazatricyclo[5.2.1.02,6]dec-4-ene (PubChem CID 11878740) has the molecular formula C22H24N2 and a molecular weight of 316.45 g/mol. Its IUPAC name is (1S,2R,6R,7S)-10,10-dimethyl-3,5-diphenyl-3,4-diazatricyclo[5.2.1.02,6]dec-4-ene.

Molecular Properties

Compound Name(1S,2R,6R,7S)-10,10-dimethyl-3,5-diphenyl-3,4-diazatricyclo[5.2.1.02,6]dec-4-ene
PubChem CID11878740
Molecular FormulaC22H24N2
Molecular Weight316.45 g/mol
Exact Mass316.19
IUPAC Name(1S,2R,6R,7S)-10,10-dimethyl-3,5-diphenyl-3,4-diazatricyclo[5.2.1.02,6]dec-4-ene
SMILESCC1(C)[C@@H]2CC[C@H]1[C@H]1C(c3ccccc3)=NN(c3ccccc3)[C@@H]12
InChIInChI=1S/C22H24N2/c1-22(2)17-13-14-18(22)21-19(17)20(15-9-5-3-6-10-15)23-24(21)16-11-7-4-8-12-16/h3-12,17-19,21H,13-14H2,1-2H3/t17-,18+,19-,21+/m0/s1
InChIKeyZDLCCSXUCSBHBK-YOUFYPILSA-N
XLogP4.96
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S,2R,6R,7S)-10,10-dimethyl-3,5-diphenyl-3,4-diazatricyclo[5.2.1.02,6]dec-4-ene with MolForge

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Related Compounds

dimethyl (1S,2S,3S,7R,8S,9R)-4,6-diphenyl-4,5-diazatetracyclo[7.2.2.02,8.03,7]trideca-5,10,12-triene-10,11-dicarboxylate
CID 10939104
(1R,2S,6S,7R,8S,12R)-10-[2-[(1R,2S,6S,7R,8S,12R)-9,11-dioxo-3,5-diphenyl-13-oxa-3,4,10-triazatetracyclo[5.5.1.02,6.08,12]tridec-4-en-10-yl]ethyl]-3,5-diphenyl-13-oxa-3,4,10-triazatetracyclo[5.5.1.02,6.08,12]tridec-4-ene-9,11-dione
CID 102484008
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CID 95987197
(3aR,6aR)-1-(4-chlorophenyl)-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrazole
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1-methyl-3-phenyl-3a,4,5,6,7,7a-hexahydroindazole
CID 13153343
dimethyl (3R,4R)-2,5-diphenyl-3,4-dihydropyrazole-3,4-dicarboxylate
CID 7071906
7,9-diphenyl-6b,9a-dihydroacenaphthyleno[2,1-c]pyrazole
CID 11837411
3-benzyl-4-ethyl-2,5-diphenyl-3,4-dihydropyrazole
CID 102136182
(4S)-2-[(4R)-2,2-dimethyloxan-4-yl]-5-phenyl-4-prop-2-ynyl-4H-pyrazol-3-one
CID 7371911
1-[(1S,2R,6S,7R)-3-phenyl-3,4-diazatricyclo[5.2.1.02,6]dec-4-en-5-yl]ethanone
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(1S,2R,6R,7S,8R,12S)-3,5-diphenyl-10-(1,3-thiazol-2-yl)-13-oxa-3,4,10-triazatetracyclo[5.5.1.02,6.08,12]tridec-4-ene-9,11-dione
CID 54752666
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Frequently Asked Questions

What is the IUPAC name of (1S,2R,6R,7S)-10,10-dimethyl-3,5-diphenyl-3,4-diazatricyclo[5.2.1.02,6]dec-4-ene?
The IUPAC name of (1S,2R,6R,7S)-10,10-dimethyl-3,5-diphenyl-3,4-diazatricyclo[5.2.1.02,6]dec-4-ene (CID 11878740) is (1S,2R,6R,7S)-10,10-dimethyl-3,5-diphenyl-3,4-diazatricyclo[5.2.1.02,6]dec-4-ene.
What is the SMILES notation for (1S,2R,6R,7S)-10,10-dimethyl-3,5-diphenyl-3,4-diazatricyclo[5.2.1.02,6]dec-4-ene?
The canonical SMILES for (1S,2R,6R,7S)-10,10-dimethyl-3,5-diphenyl-3,4-diazatricyclo[5.2.1.02,6]dec-4-ene is CC1(C)[C@@H]2CC[C@H]1[C@H]1C(c3ccccc3)=NN(c3ccccc3)[C@@H]12.
What is the InChIKey of (1S,2R,6R,7S)-10,10-dimethyl-3,5-diphenyl-3,4-diazatricyclo[5.2.1.02,6]dec-4-ene?
The InChIKey is ZDLCCSXUCSBHBK-YOUFYPILSA-N. The full InChI is InChI=1S/C22H24N2/c1-22(2)17-13-14-18(22)21-19(17)20(15-9-5-3-6-10-15)23-24(21)16-11-7-4-8-12-16/h3-12,17-19,21H,13-14H2,1-2H3/t17-,18+,19-,21+/m0/s1.
What are the key properties of (1S,2R,6R,7S)-10,10-dimethyl-3,5-diphenyl-3,4-diazatricyclo[5.2.1.02,6]dec-4-ene?
(1S,2R,6R,7S)-10,10-dimethyl-3,5-diphenyl-3,4-diazatricyclo[5.2.1.02,6]dec-4-ene has a molecular weight of 316.45 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,6R,7S)-10,10-dimethyl-3,5-diphenyl-3,4-diazatricyclo[5.2.1.02,6]dec-4-ene is sourced from PubChem (CID 11878740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).