(3aE,5Z,7Z,9E)-2,3-dimethylcycloocta[d]imidazole

C11H12N2 — CID 142616291

IUPAC(3aE,5Z,7Z,9E)-2,3-dimethylcycloocta[d]imidazole
SMILESCc1nc2/c(n1C)=C\C=C/C=C\C=2
InChIInChI=1S/C11H12N2/c1-9-12-10-7-5-3-4-6-8-11(10)13(9)2/h3-8H,1-2H3/b4-3-,5-3-,6-4-,7-5-,8-6-,10-7+,11-8+
InChIKeyMWQMWSZRAAXEBT-QAOJABQXSA-N
MW172.23 g/mol
LogP0.42
Rot. Bonds

About (3aE,5Z,7Z,9E)-2,3-dimethylcycloocta[d]imidazole

(3aE,5Z,7Z,9E)-2,3-dimethylcycloocta[d]imidazole (PubChem CID 142616291) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (3aE,5Z,7Z,9E)-2,3-dimethylcycloocta[d]imidazole.

Molecular Properties

Compound Name(3aE,5Z,7Z,9E)-2,3-dimethylcycloocta[d]imidazole
PubChem CID142616291
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name(3aE,5Z,7Z,9E)-2,3-dimethylcycloocta[d]imidazole
SMILESCc1nc2/c(n1C)=C\C=C/C=C\C=2
InChIInChI=1S/C11H12N2/c1-9-12-10-7-5-3-4-6-8-11(10)13(9)2/h3-8H,1-2H3/b4-3-,5-3-,6-4-,7-5-,8-6-,10-7+,11-8+
InChIKeyMWQMWSZRAAXEBT-QAOJABQXSA-N
XLogP0.42
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3aE,5Z,7Z,9E)-2,3-dimethylcycloocta[d]imidazole?
The IUPAC name of (3aE,5Z,7Z,9E)-2,3-dimethylcycloocta[d]imidazole (CID 142616291) is (3aE,5Z,7Z,9E)-2,3-dimethylcycloocta[d]imidazole.
What is the SMILES notation for (3aE,5Z,7Z,9E)-2,3-dimethylcycloocta[d]imidazole?
The canonical SMILES for (3aE,5Z,7Z,9E)-2,3-dimethylcycloocta[d]imidazole is Cc1nc2/c(n1C)=C\C=C/C=C\C=2.
What is the InChIKey of (3aE,5Z,7Z,9E)-2,3-dimethylcycloocta[d]imidazole?
The InChIKey is MWQMWSZRAAXEBT-QAOJABQXSA-N. The full InChI is InChI=1S/C11H12N2/c1-9-12-10-7-5-3-4-6-8-11(10)13(9)2/h3-8H,1-2H3/b4-3-,5-3-,6-4-,7-5-,8-6-,10-7+,11-8+.
What are the key properties of (3aE,5Z,7Z,9E)-2,3-dimethylcycloocta[d]imidazole?
(3aE,5Z,7Z,9E)-2,3-dimethylcycloocta[d]imidazole has a molecular weight of 172.23 g/mol, XLogP of 0.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aE,5Z,7Z,9E)-2,3-dimethylcycloocta[d]imidazole is sourced from PubChem (CID 142616291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).