ethane;4-methyl-6,6a-dihydro-5aH-cyclopropa[g]isoquinoline

C13H17N — CID 176972178

IUPACethane;4-methyl-6,6a-dihydro-5aH-cyclopropa[g]isoquinoline
SMILESCC.Cc1cncc2c1=CC1CC1C=2
InChIInChI=1S/C11H11N.C2H6/c1-7-5-12-6-10-3-8-2-9(8)4-11(7)10;1-2/h3-6,8-9H,2H2,1H3;1-2H3
InChIKeyXBFGZHFLHNIUCQ-UHFFFAOYSA-N
MW187.29 g/mol
LogP1.63
Rot. Bonds

About ethane;4-methyl-6,6a-dihydro-5aH-cyclopropa[g]isoquinoline

ethane;4-methyl-6,6a-dihydro-5aH-cyclopropa[g]isoquinoline (PubChem CID 176972178) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is ethane;4-methyl-6,6a-dihydro-5aH-cyclopropa[g]isoquinoline.

Molecular Properties

Compound Nameethane;4-methyl-6,6a-dihydro-5aH-cyclopropa[g]isoquinoline
PubChem CID176972178
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Nameethane;4-methyl-6,6a-dihydro-5aH-cyclopropa[g]isoquinoline
SMILESCC.Cc1cncc2c1=CC1CC1C=2
InChIInChI=1S/C11H11N.C2H6/c1-7-5-12-6-10-3-8-2-9(8)4-11(7)10;1-2/h3-6,8-9H,2H2,1H3;1-2H3
InChIKeyXBFGZHFLHNIUCQ-UHFFFAOYSA-N
XLogP1.63
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;4-methyl-6,6a-dihydro-5aH-cyclopropa[g]isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-6,6a-dihydro-5aH-cyclopropa[g]isoquinoline?
The IUPAC name of ethane;4-methyl-6,6a-dihydro-5aH-cyclopropa[g]isoquinoline (CID 176972178) is ethane;4-methyl-6,6a-dihydro-5aH-cyclopropa[g]isoquinoline.
What is the SMILES notation for ethane;4-methyl-6,6a-dihydro-5aH-cyclopropa[g]isoquinoline?
The canonical SMILES for ethane;4-methyl-6,6a-dihydro-5aH-cyclopropa[g]isoquinoline is CC.Cc1cncc2c1=CC1CC1C=2.
What is the InChIKey of ethane;4-methyl-6,6a-dihydro-5aH-cyclopropa[g]isoquinoline?
The InChIKey is XBFGZHFLHNIUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N.C2H6/c1-7-5-12-6-10-3-8-2-9(8)4-11(7)10;1-2/h3-6,8-9H,2H2,1H3;1-2H3.
What are the key properties of ethane;4-methyl-6,6a-dihydro-5aH-cyclopropa[g]isoquinoline?
ethane;4-methyl-6,6a-dihydro-5aH-cyclopropa[g]isoquinoline has a molecular weight of 187.29 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-6,6a-dihydro-5aH-cyclopropa[g]isoquinoline is sourced from PubChem (CID 176972178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).