(2R,4S)-3,3,9-trimethyl-8-phenyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene

C16H18N2 — CID 11862069

IUPAC(2R,4S)-3,3,9-trimethyl-8-phenyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene
SMILESCc1c2c(nn1-c1ccccc1)C[C@H]1[C@@H]2C1(C)C
InChIInChI=1S/C16H18N2/c1-10-14-13(9-12-15(14)16(12,2)3)17-18(10)11-7-5-4-6-8-11/h4-8,12,15H,9H2,1-3H3/t12-,15-/m0/s1
InChIKeyKQMINNNRYGRYFH-WFASDCNBSA-N
MW238.33 g/mol
LogP3.48
Rot. Bonds1

About (2R,4S)-3,3,9-trimethyl-8-phenyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene

(2R,4S)-3,3,9-trimethyl-8-phenyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene (PubChem CID 11862069) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (2R,4S)-3,3,9-trimethyl-8-phenyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene.

Molecular Properties

Compound Name(2R,4S)-3,3,9-trimethyl-8-phenyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene
PubChem CID11862069
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name(2R,4S)-3,3,9-trimethyl-8-phenyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene
SMILESCc1c2c(nn1-c1ccccc1)C[C@H]1[C@@H]2C1(C)C
InChIInChI=1S/C16H18N2/c1-10-14-13(9-12-15(14)16(12,2)3)17-18(10)11-7-5-4-6-8-11/h4-8,12,15H,9H2,1-3H3/t12-,15-/m0/s1
InChIKeyKQMINNNRYGRYFH-WFASDCNBSA-N
XLogP3.48
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl-[(2S,4R)-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]methanone
CID 927987
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)cyclopropan-1-amine
CID 105484824
5-methyl-1,3,4-triphenylpyrazole
CID 1202580
4,5-dimethyl-1,3-diphenylpyrazole
CID 13258584
3-phenyl-1-(3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl)propan-1-one
CID 5134183
3-phenyl-1-(3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl)prop-2-en-1-one
CID 2856161
(4R)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
CID 95389437
(4R,4aR,7aS)-5-amino-3-methyl-7-oxo-2,4-diphenyl-4,8-dihydropyrrolo[3,4-f]indazole-4a,7a-dicarbonitrile
CID 11897270
(4R,4aR,7aR)-5-amino-3-methyl-7-oxo-2,4-diphenyl-4,8-dihydropyrrolo[3,4-f]indazole-4a,7a-dicarbonitrile
CID 11897271
(1R,8R)-1,3,8,10-tetramethyl-5,12-diphenyl-7,14-dioxa-4,5,11,12-tetrazatetracyclo[6.6.1.02,6.09,13]pentadeca-2(6),3,9(13),10-tetraene
CID 1120801
4-methanidyl-3,5-dimethyl-1-phenylpyrazole;yttrium
CID 176877441
(3,5-dimethyl-1-phenylpyrazol-4-yl)-trimethylsilane
CID 130535844

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-3,3,9-trimethyl-8-phenyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene?
The IUPAC name of (2R,4S)-3,3,9-trimethyl-8-phenyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene (CID 11862069) is (2R,4S)-3,3,9-trimethyl-8-phenyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene.
What is the SMILES notation for (2R,4S)-3,3,9-trimethyl-8-phenyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene?
The canonical SMILES for (2R,4S)-3,3,9-trimethyl-8-phenyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene is Cc1c2c(nn1-c1ccccc1)C[C@H]1[C@@H]2C1(C)C.
What is the InChIKey of (2R,4S)-3,3,9-trimethyl-8-phenyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene?
The InChIKey is KQMINNNRYGRYFH-WFASDCNBSA-N. The full InChI is InChI=1S/C16H18N2/c1-10-14-13(9-12-15(14)16(12,2)3)17-18(10)11-7-5-4-6-8-11/h4-8,12,15H,9H2,1-3H3/t12-,15-/m0/s1.
What are the key properties of (2R,4S)-3,3,9-trimethyl-8-phenyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene?
(2R,4S)-3,3,9-trimethyl-8-phenyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene has a molecular weight of 238.33 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-3,3,9-trimethyl-8-phenyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene is sourced from PubChem (CID 11862069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).