10-amino-2-methyl-7-aza-2-azoniatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol

C11H12N3O+ — CID 135450789

IUPAC10-amino-2-methyl-7-aza-2-azoniatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol
SMILESC[N+]1=CC2=c3c1c(O)c(N)cc3=NCC2
InChIInChI=1S/C11H11N3O/c1-14-5-6-2-3-13-8-4-7(12)11(15)10(14)9(6)8/h4-5H,2-3H2,1H3,(H2,12,13)/p+1
InChIKeyOFUQXHPGRJJYJQ-UHFFFAOYSA-O
MW202.24 g/mol
LogP-0.49
Rot. Bonds

About 10-amino-2-methyl-7-aza-2-azoniatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol

10-amino-2-methyl-7-aza-2-azoniatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol (PubChem CID 135450789) has the molecular formula C11H12N3O+ and a molecular weight of 202.24 g/mol. Its IUPAC name is 10-amino-2-methyl-7-aza-2-azoniatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol.

Molecular Properties

Compound Name10-amino-2-methyl-7-aza-2-azoniatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol
PubChem CID135450789
Molecular FormulaC11H12N3O+
Molecular Weight202.24 g/mol
Exact Mass202.10
IUPAC Name10-amino-2-methyl-7-aza-2-azoniatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol
SMILESC[N+]1=CC2=c3c1c(O)c(N)cc3=NCC2
InChIInChI=1S/C11H11N3O/c1-14-5-6-2-3-13-8-4-7(12)11(15)10(14)9(6)8/h4-5H,2-3H2,1H3,(H2,12,13)/p+1
InChIKeyOFUQXHPGRJJYJQ-UHFFFAOYSA-O
XLogP-0.49
TPSA61.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-amino-2-methyl-7-aza-2-azoniatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol?
The IUPAC name of 10-amino-2-methyl-7-aza-2-azoniatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol (CID 135450789) is 10-amino-2-methyl-7-aza-2-azoniatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol.
What is the SMILES notation for 10-amino-2-methyl-7-aza-2-azoniatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol?
The canonical SMILES for 10-amino-2-methyl-7-aza-2-azoniatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol is C[N+]1=CC2=c3c1c(O)c(N)cc3=NCC2.
What is the InChIKey of 10-amino-2-methyl-7-aza-2-azoniatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol?
The InChIKey is OFUQXHPGRJJYJQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H11N3O/c1-14-5-6-2-3-13-8-4-7(12)11(15)10(14)9(6)8/h4-5H,2-3H2,1H3,(H2,12,13)/p+1.
What are the key properties of 10-amino-2-methyl-7-aza-2-azoniatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol?
10-amino-2-methyl-7-aza-2-azoniatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol has a molecular weight of 202.24 g/mol, XLogP of -0.49, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-amino-2-methyl-7-aza-2-azoniatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol is sourced from PubChem (CID 135450789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).