8-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene

C11H13N — CID 177102462

IUPAC8-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene
SMILESCc1ccc2c3c1CCN3CC2
InChIInChI=1S/C11H13N/c1-8-2-3-9-4-6-12-7-5-10(8)11(9)12/h2-3H,4-7H2,1H3
InChIKeyDRHVRHFIWPZMCM-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.91
Rot. Bonds

About 8-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene

8-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene (PubChem CID 177102462) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 8-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene.

Molecular Properties

Compound Name8-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene
PubChem CID177102462
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name8-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene
SMILESCc1ccc2c3c1CCN3CC2
InChIInChI=1S/C11H13N/c1-8-2-3-9-4-6-12-7-5-10(8)11(9)12/h2-3H,4-7H2,1H3
InChIKeyDRHVRHFIWPZMCM-UHFFFAOYSA-N
XLogP1.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
CID 118055306
4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene
CID 15498114
6-fluoro-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
CID 138981773
1-(3,6,7,8-tetrahydro-2H-cyclopenta[g]indol-1-yl)propan-2-amine
CID 23400516
5-propyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
CID 118055298
7-iodo-6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene
CID 146667407
4,9-diazatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene
CID 102159372
8-fluoro-7-methyl-2-(5-pyridin-4-yl-2-pyridinyl)-3,4-dihydro-1H-isoquinoline
CID 166359802
5-cyclopropyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
CID 118055341
(7-methyl-2,3-dihydro-1H-inden-4-yl)methanol
CID 117276140
5-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
CID 118055302
1,6,6-trimethyl-3,7-dihydro-2H-cyclobuta[g]indole
CID 23382333

Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene?
The IUPAC name of 8-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene (CID 177102462) is 8-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene.
What is the SMILES notation for 8-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene?
The canonical SMILES for 8-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene is Cc1ccc2c3c1CCN3CC2.
What is the InChIKey of 8-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene?
The InChIKey is DRHVRHFIWPZMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-8-2-3-9-4-6-12-7-5-10(8)11(9)12/h2-3H,4-7H2,1H3.
What are the key properties of 8-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene?
8-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene has a molecular weight of 159.23 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene is sourced from PubChem (CID 177102462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).