(1S,7S)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene

C11H16N2 — CID 98550750

IUPAC(1S,7S)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene
SMILESCC1(C)[C@@H]2CC[C@]1(C)c1[nH]ncc12
InChIInChI=1S/C11H16N2/c1-10(2)8-4-5-11(10,3)9-7(8)6-12-13-9/h6,8H,4-5H2,1-3H3,(H,12,13)/t8-,11-/m1/s1
InChIKeyIQTIQGVRWRCLOK-LDYMZIIASA-N
MW176.26 g/mol
LogP2.58
Rot. Bonds

About (1S,7S)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene

(1S,7S)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene (PubChem CID 98550750) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (1S,7S)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene.

Molecular Properties

Compound Name(1S,7S)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene
PubChem CID98550750
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(1S,7S)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene
SMILESCC1(C)[C@@H]2CC[C@]1(C)c1[nH]ncc12
InChIInChI=1S/C11H16N2/c1-10(2)8-4-5-11(10,3)9-7(8)6-12-13-9/h6,8H,4-5H2,1-3H3,(H,12,13)/t8-,11-/m1/s1
InChIKeyIQTIQGVRWRCLOK-LDYMZIIASA-N
XLogP2.58
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,7S)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene?
The IUPAC name of (1S,7S)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene (CID 98550750) is (1S,7S)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene.
What is the SMILES notation for (1S,7S)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene?
The canonical SMILES for (1S,7S)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene is CC1(C)[C@@H]2CC[C@]1(C)c1[nH]ncc12.
What is the InChIKey of (1S,7S)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene?
The InChIKey is IQTIQGVRWRCLOK-LDYMZIIASA-N. The full InChI is InChI=1S/C11H16N2/c1-10(2)8-4-5-11(10,3)9-7(8)6-12-13-9/h6,8H,4-5H2,1-3H3,(H,12,13)/t8-,11-/m1/s1.
What are the key properties of (1S,7S)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene?
(1S,7S)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene has a molecular weight of 176.26 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,7S)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene is sourced from PubChem (CID 98550750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).