2-(6-methoxy-1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-4,5-dihydro-1H-imidazole

C14H16N2O — CID 10307995

IUPAC2-(6-methoxy-1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-4,5-dihydro-1H-imidazole
SMILESCOC1c2ccccc2C2CC21C1=NCCN1
InChIInChI=1S/C14H16N2O/c1-17-12-10-5-3-2-4-9(10)11-8-14(11,12)13-15-6-7-16-13/h2-5,11-12H,6-8H2,1H3,(H,15,16)
InChIKeyYURJDBGPGMYIQM-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.86
Rot. Bonds2

About 2-(6-methoxy-1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-4,5-dihydro-1H-imidazole

2-(6-methoxy-1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-4,5-dihydro-1H-imidazole (PubChem CID 10307995) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(6-methoxy-1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(6-methoxy-1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-4,5-dihydro-1H-imidazole
PubChem CID10307995
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name2-(6-methoxy-1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-4,5-dihydro-1H-imidazole
SMILESCOC1c2ccccc2C2CC21C1=NCCN1
InChIInChI=1S/C14H16N2O/c1-17-12-10-5-3-2-4-9(10)11-8-14(11,12)13-15-6-7-16-13/h2-5,11-12H,6-8H2,1H3,(H,15,16)
InChIKeyYURJDBGPGMYIQM-UHFFFAOYSA-N
XLogP1.86
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(6-methoxy-1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-4,5-dihydro-1H-imidazole (CID 10307995) is 2-(6-methoxy-1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(6-methoxy-1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(6-methoxy-1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-4,5-dihydro-1H-imidazole is COC1c2ccccc2C2CC21C1=NCCN1.
What is the InChIKey of 2-(6-methoxy-1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-4,5-dihydro-1H-imidazole?
The InChIKey is YURJDBGPGMYIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-17-12-10-5-3-2-4-9(10)11-8-14(11,12)13-15-6-7-16-13/h2-5,11-12H,6-8H2,1H3,(H,15,16).
What are the key properties of 2-(6-methoxy-1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-4,5-dihydro-1H-imidazole?
2-(6-methoxy-1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-4,5-dihydro-1H-imidazole has a molecular weight of 228.29 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 10307995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).