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

C11H11N — CID 143358191

IUPAC3-methyl-7a,8-dihydrocyclopropa[i]quinoline
SMILESCC1=CC2=CC=CC3CC23N=C1
InChIInChI=1S/C11H11N/c1-8-5-9-3-2-4-10-6-11(9,10)12-7-8/h2-5,7,10H,6H2,1H3
InChIKeyHXIVHFFLHNGWQO-UHFFFAOYSA-N
MW157.22 g/mol
LogP2.27
Rot. Bonds

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

3-methyl-7a,8-dihydrocyclopropa[i]quinoline (PubChem CID 143358191) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is 3-methyl-7a,8-dihydrocyclopropa[i]quinoline.

Molecular Properties

Compound Name3-methyl-7a,8-dihydrocyclopropa[i]quinoline
PubChem CID143358191
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC Name3-methyl-7a,8-dihydrocyclopropa[i]quinoline
SMILESCC1=CC2=CC=CC3CC23N=C1
InChIInChI=1S/C11H11N/c1-8-5-9-3-2-4-10-6-11(9,10)12-7-8/h2-5,7,10H,6H2,1H3
InChIKeyHXIVHFFLHNGWQO-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

10-Azatricyclo[6.2.1.01,6]undeca-2,4,7,9-tetraene
CID 66888262
1,4-Dimethyl-1,8a-dihydroisoquinoline
CID 67987318
7,8a-dimethyl-8H-quinoline
CID 90990681
2-Cyclohexa-1,3-dien-1-yl-2-methylazirine
CID 117900190
3-Ethenyl-6-methyl-4a,5-dihydroisoquinoline
CID 123867208
8-Prop-1-en-2-yl-4a,8a-dihydroquinoline
CID 129171817
(4Z)-4-[(Z)-2,3-dimethylidenehex-4-enylidene]-3-methylidene-4a,8a-dihydroquinoline
CID 132072551
N-[2-[(Z)-prop-1-enyl]-1-bicyclo[4.1.0]hepta-2,4-dienyl]methanimine
CID 141930969
3-Ethyl-7a,8-dihydrocyclopropa[i]quinoline
CID 142181674
7a,8-Dihydrocyclopropa[i][1,6]naphthyridine
CID 142246483
7a,8-Dihydrocyclopropa[i]quinoline;ethane
CID 142834020
5-Methyl-2-azatricyclo[4.4.1.01,6]undeca-2,4,7,9-tetraene
CID 143822424

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7a,8-dihydrocyclopropa[i]quinoline?
The IUPAC name of 3-methyl-7a,8-dihydrocyclopropa[i]quinoline (CID 143358191) is 3-methyl-7a,8-dihydrocyclopropa[i]quinoline.
What is the SMILES notation for 3-methyl-7a,8-dihydrocyclopropa[i]quinoline?
The canonical SMILES for 3-methyl-7a,8-dihydrocyclopropa[i]quinoline is CC1=CC2=CC=CC3CC23N=C1.
What is the InChIKey of 3-methyl-7a,8-dihydrocyclopropa[i]quinoline?
The InChIKey is HXIVHFFLHNGWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N/c1-8-5-9-3-2-4-10-6-11(9,10)12-7-8/h2-5,7,10H,6H2,1H3.
What are the key properties of 3-methyl-7a,8-dihydrocyclopropa[i]quinoline?
3-methyl-7a,8-dihydrocyclopropa[i]quinoline has a molecular weight of 157.22 g/mol, XLogP of 2.27, 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[i]quinoline is sourced from PubChem (CID 143358191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).