3-methyl-7a,8-dihydrocyclopropa[e]quinoline

C11H11N — CID 143317530

IUPAC3-methyl-7a,8-dihydrocyclopropa[e]quinoline
SMILESCC1=NC2=CC=CC3CC23C=C1
InChIInChI=1S/C11H11N/c1-8-5-6-11-7-9(11)3-2-4-10(11)12-8/h2-6,9H,7H2,1H3
InChIKeyFEVXGSJTUQCHPO-UHFFFAOYSA-N
MW157.22 g/mol
LogP2.48
Rot. Bonds

About 3-methyl-7a,8-dihydrocyclopropa[e]quinoline

3-methyl-7a,8-dihydrocyclopropa[e]quinoline (PubChem CID 143317530) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is 3-methyl-7a,8-dihydrocyclopropa[e]quinoline.

Molecular Properties

Compound Name3-methyl-7a,8-dihydrocyclopropa[e]quinoline
PubChem CID143317530
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC Name3-methyl-7a,8-dihydrocyclopropa[e]quinoline
SMILESCC1=NC2=CC=CC3CC23C=C1
InChIInChI=1S/C11H11N/c1-8-5-6-11-7-9(11)3-2-4-10(11)12-8/h2-6,9H,7H2,1H3
InChIKeyFEVXGSJTUQCHPO-UHFFFAOYSA-N
XLogP2.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(9aR)-2,9a-dimethyl-1H-acridine
CID 68274174
2,6,7-Trimethyl-4a,5-dihydroquinoline
CID 89961067
Ethane;2-methyl-9-azatetracyclo[8.5.0.01,14.03,8]pentadeca-2,4,6,8,10,12-hexaene
CID 141792793
3-Ethyl-7a,8-dihydrocyclopropa[e]quinoline
CID 141894328
2-methyl-6,6a-dihydro-5aH-cyclopropa[g]quinoline
CID 141948912
7-Methyl-7a,8-dihydrocyclopropa[e]quinoline
CID 142233483
3,6-Dimethyl-1,1a-dihydrocyclopropa[d]quinoline
CID 142925621
9,10,10-Trimethyl-8-azatricyclo[5.3.0.01,3]deca-4,6,8-triene
CID 143027531
7a,8-Dihydrocyclopropa[e]quinoline
CID 143058979
2-Methyl-9-azatetracyclo[8.5.0.01,14.03,8]pentadeca-2,4,6,8,10,12-hexaene
CID 141792794
2,4-dimethyl-6,6a-dihydro-5aH-cyclopropa[g]quinoline
CID 142225188

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7a,8-dihydrocyclopropa[e]quinoline?
The IUPAC name of 3-methyl-7a,8-dihydrocyclopropa[e]quinoline (CID 143317530) is 3-methyl-7a,8-dihydrocyclopropa[e]quinoline.
What is the SMILES notation for 3-methyl-7a,8-dihydrocyclopropa[e]quinoline?
The canonical SMILES for 3-methyl-7a,8-dihydrocyclopropa[e]quinoline is CC1=NC2=CC=CC3CC23C=C1.
What is the InChIKey of 3-methyl-7a,8-dihydrocyclopropa[e]quinoline?
The InChIKey is FEVXGSJTUQCHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N/c1-8-5-6-11-7-9(11)3-2-4-10(11)12-8/h2-6,9H,7H2,1H3.
What are the key properties of 3-methyl-7a,8-dihydrocyclopropa[e]quinoline?
3-methyl-7a,8-dihydrocyclopropa[e]quinoline has a molecular weight of 157.22 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7a,8-dihydrocyclopropa[e]quinoline is sourced from PubChem (CID 143317530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).