(11S)-11-propan-2-yl-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9-tetraene

C13H16N2 — CID 102414329

IUPAC(11S)-11-propan-2-yl-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9-tetraene
SMILESCC(C)[C@H]1CN2C(=N1)C=CC1=C2C=CC1
InChIInChI=1S/C13H16N2/c1-9(2)11-8-15-12-5-3-4-10(12)6-7-13(15)14-11/h3,5-7,9,11H,4,8H2,1-2H3/t11-/m1/s1
InChIKeyKCCYYUWZWVBDOO-LLVKDONJSA-N
MW200.28 g/mol
LogP2.51
Rot. Bonds1

About (11S)-11-propan-2-yl-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9-tetraene

(11S)-11-propan-2-yl-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9-tetraene (PubChem CID 102414329) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (11S)-11-propan-2-yl-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9-tetraene.

Molecular Properties

Compound Name(11S)-11-propan-2-yl-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9-tetraene
PubChem CID102414329
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name(11S)-11-propan-2-yl-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9-tetraene
SMILESCC(C)[C@H]1CN2C(=N1)C=CC1=C2C=CC1
InChIInChI=1S/C13H16N2/c1-9(2)11-8-15-12-5-3-4-10(12)6-7-13(15)14-11/h3,5-7,9,11H,4,8H2,1-2H3/t11-/m1/s1
InChIKeyKCCYYUWZWVBDOO-LLVKDONJSA-N
XLogP2.51
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (11S)-11-propan-2-yl-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9-tetraene?
The IUPAC name of (11S)-11-propan-2-yl-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9-tetraene (CID 102414329) is (11S)-11-propan-2-yl-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9-tetraene.
What is the SMILES notation for (11S)-11-propan-2-yl-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9-tetraene?
The canonical SMILES for (11S)-11-propan-2-yl-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9-tetraene is CC(C)[C@H]1CN2C(=N1)C=CC1=C2C=CC1.
What is the InChIKey of (11S)-11-propan-2-yl-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9-tetraene?
The InChIKey is KCCYYUWZWVBDOO-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16N2/c1-9(2)11-8-15-12-5-3-4-10(12)6-7-13(15)14-11/h3,5-7,9,11H,4,8H2,1-2H3/t11-/m1/s1.
What are the key properties of (11S)-11-propan-2-yl-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9-tetraene?
(11S)-11-propan-2-yl-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9-tetraene has a molecular weight of 200.28 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (11S)-11-propan-2-yl-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9-tetraene is sourced from PubChem (CID 102414329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).