3-methyl-8-azatricyclo[4.3.1.02,4]deca-1(9),7-diene

C10H13N — CID 134316942

IUPAC3-methyl-8-azatricyclo[4.3.1.02,4]deca-1(9),7-diene
SMILESCC1C2CC3C=NC=C(C3)C12
InChIInChI=1S/C10H13N/c1-6-9-3-7-2-8(10(6)9)5-11-4-7/h4-7,9-10H,2-3H2,1H3
InChIKeyQYDALTZSSULWSL-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.25
Rot. Bonds

About 3-methyl-8-azatricyclo[4.3.1.02,4]deca-1(9),7-diene

3-methyl-8-azatricyclo[4.3.1.02,4]deca-1(9),7-diene (PubChem CID 134316942) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 3-methyl-8-azatricyclo[4.3.1.02,4]deca-1(9),7-diene.

Molecular Properties

Compound Name3-methyl-8-azatricyclo[4.3.1.02,4]deca-1(9),7-diene
PubChem CID134316942
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name3-methyl-8-azatricyclo[4.3.1.02,4]deca-1(9),7-diene
SMILESCC1C2CC3C=NC=C(C3)C12
InChIInChI=1S/C10H13N/c1-6-9-3-7-2-8(10(6)9)5-11-4-7/h4-7,9-10H,2-3H2,1H3
InChIKeyQYDALTZSSULWSL-UHFFFAOYSA-N
XLogP2.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-azatricyclo[4.3.1.02,4]deca-1(9),7-diene?
The IUPAC name of 3-methyl-8-azatricyclo[4.3.1.02,4]deca-1(9),7-diene (CID 134316942) is 3-methyl-8-azatricyclo[4.3.1.02,4]deca-1(9),7-diene.
What is the SMILES notation for 3-methyl-8-azatricyclo[4.3.1.02,4]deca-1(9),7-diene?
The canonical SMILES for 3-methyl-8-azatricyclo[4.3.1.02,4]deca-1(9),7-diene is CC1C2CC3C=NC=C(C3)C12.
What is the InChIKey of 3-methyl-8-azatricyclo[4.3.1.02,4]deca-1(9),7-diene?
The InChIKey is QYDALTZSSULWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-6-9-3-7-2-8(10(6)9)5-11-4-7/h4-7,9-10H,2-3H2,1H3.
What are the key properties of 3-methyl-8-azatricyclo[4.3.1.02,4]deca-1(9),7-diene?
3-methyl-8-azatricyclo[4.3.1.02,4]deca-1(9),7-diene has a molecular weight of 147.22 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-azatricyclo[4.3.1.02,4]deca-1(9),7-diene is sourced from PubChem (CID 134316942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).