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

C10H14N2 — CID 766473

IUPAC(2S,4R)-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene
SMILESCc1[nH]nc2c1[C@H]1[C@@H](C2)C1(C)C
InChIInChI=1S/C10H14N2/c1-5-8-7(12-11-5)4-6-9(8)10(6,2)3/h6,9H,4H2,1-3H3,(H,11,12)/t6-,9-/m1/s1
InChIKeyBXPXTOORXLMQOD-HZGVNTEJSA-N
MW162.24 g/mol
LogP2.01
Rot. Bonds

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

(2S,4R)-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene (PubChem CID 766473) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is (2S,4R)-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene.

Molecular Properties

Compound Name(2S,4R)-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene
PubChem CID766473
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name(2S,4R)-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene
SMILESCc1[nH]nc2c1[C@H]1[C@@H](C2)C1(C)C
InChIInChI=1S/C10H14N2/c1-5-8-7(12-11-5)4-6-9(8)10(6,2)3/h6,9H,4H2,1-3H3,(H,11,12)/t6-,9-/m1/s1
InChIKeyBXPXTOORXLMQOD-HZGVNTEJSA-N
XLogP2.01
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene?
The IUPAC name of (2S,4R)-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene (CID 766473) is (2S,4R)-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene.
What is the SMILES notation for (2S,4R)-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene?
The canonical SMILES for (2S,4R)-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene is Cc1[nH]nc2c1[C@H]1[C@@H](C2)C1(C)C.
What is the InChIKey of (2S,4R)-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene?
The InChIKey is BXPXTOORXLMQOD-HZGVNTEJSA-N. The full InChI is InChI=1S/C10H14N2/c1-5-8-7(12-11-5)4-6-9(8)10(6,2)3/h6,9H,4H2,1-3H3,(H,11,12)/t6-,9-/m1/s1.
What are the key properties of (2S,4R)-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene?
(2S,4R)-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene has a molecular weight of 162.24 g/mol, XLogP of 2.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene is sourced from PubChem (CID 766473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).