3-methyl-2-methylidene-3a,6-dihydrocyclopenta[d]imidazole

C8H10N2 — CID 59165084

IUPAC3-methyl-2-methylidene-3a,6-dihydrocyclopenta[d]imidazole
SMILESC=C1N=C2CC=CC2N1C
InChIInChI=1S/C8H10N2/c1-6-9-7-4-3-5-8(7)10(6)2/h3,5,8H,1,4H2,2H3
InChIKeyKATLJEBZKGCZRT-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.17
Rot. Bonds

About 3-methyl-2-methylidene-3a,6-dihydrocyclopenta[d]imidazole

3-methyl-2-methylidene-3a,6-dihydrocyclopenta[d]imidazole (PubChem CID 59165084) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 3-methyl-2-methylidene-3a,6-dihydrocyclopenta[d]imidazole.

Molecular Properties

Compound Name3-methyl-2-methylidene-3a,6-dihydrocyclopenta[d]imidazole
PubChem CID59165084
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name3-methyl-2-methylidene-3a,6-dihydrocyclopenta[d]imidazole
SMILESC=C1N=C2CC=CC2N1C
InChIInChI=1S/C8H10N2/c1-6-9-7-4-3-5-8(7)10(6)2/h3,5,8H,1,4H2,2H3
InChIKeyKATLJEBZKGCZRT-UHFFFAOYSA-N
XLogP1.17
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-methylidene-3a,6-dihydrocyclopenta[d]imidazole?
The IUPAC name of 3-methyl-2-methylidene-3a,6-dihydrocyclopenta[d]imidazole (CID 59165084) is 3-methyl-2-methylidene-3a,6-dihydrocyclopenta[d]imidazole.
What is the SMILES notation for 3-methyl-2-methylidene-3a,6-dihydrocyclopenta[d]imidazole?
The canonical SMILES for 3-methyl-2-methylidene-3a,6-dihydrocyclopenta[d]imidazole is C=C1N=C2CC=CC2N1C.
What is the InChIKey of 3-methyl-2-methylidene-3a,6-dihydrocyclopenta[d]imidazole?
The InChIKey is KATLJEBZKGCZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-6-9-7-4-3-5-8(7)10(6)2/h3,5,8H,1,4H2,2H3.
What are the key properties of 3-methyl-2-methylidene-3a,6-dihydrocyclopenta[d]imidazole?
3-methyl-2-methylidene-3a,6-dihydrocyclopenta[d]imidazole has a molecular weight of 134.18 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-methylidene-3a,6-dihydrocyclopenta[d]imidazole is sourced from PubChem (CID 59165084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).