6,6a-dimethyl-5a,6-dihydrocyclopropa[g]quinoline

C12H13N — CID 123747638

IUPAC6,6a-dimethyl-5a,6-dihydrocyclopropa[g]quinoline
SMILESCC1C2C=c3cccnc3=CC12C
InChIInChI=1S/C12H13N/c1-8-10-6-9-4-3-5-13-11(9)7-12(8,10)2/h3-8,10H,1-2H3
InChIKeyDBXWGQMPKWZKPQ-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.93
Rot. Bonds

About 6,6a-dimethyl-5a,6-dihydrocyclopropa[g]quinoline

6,6a-dimethyl-5a,6-dihydrocyclopropa[g]quinoline (PubChem CID 123747638) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is 6,6a-dimethyl-5a,6-dihydrocyclopropa[g]quinoline.

Molecular Properties

Compound Name6,6a-dimethyl-5a,6-dihydrocyclopropa[g]quinoline
PubChem CID123747638
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name6,6a-dimethyl-5a,6-dihydrocyclopropa[g]quinoline
SMILESCC1C2C=c3cccnc3=CC12C
InChIInChI=1S/C12H13N/c1-8-10-6-9-4-3-5-13-11(9)7-12(8,10)2/h3-8,10H,1-2H3
InChIKeyDBXWGQMPKWZKPQ-UHFFFAOYSA-N
XLogP0.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7,7-Dimethylquinoline
CID 129752244
7-Fluoro-6-propan-2-yl-6,7-dihydroquinoline
CID 89318114
5,6-Dimethyl-6,7-dihydroquinoline
CID 89495195
7,8-Dimethyl-6,7-dihydroquinoline
CID 89495225
3-Ethenyl-6-methyl-4a,5-dihydroisoquinoline
CID 123867208
N-(2,3,4-trimethyl-4-prop-1-enylcyclohexa-1,5-dien-1-yl)ethanimine
CID 124026017
N-[(4Z,6Z)-8-(1,2-dimethylcyclopropyl)-3-methylideneocta-1,4,6-trien-2-yl]ethanimine
CID 129035115
6-but-3-enyl-6-methyl-7H-quinoline
CID 134287844
N-[(Z)-1-(7-methyl-7-bicyclo[4.1.0]hepta-2,4-dienyl)prop-1-en-2-yl]ethanimine
CID 138509412
3-methyl-6,6a-dihydro-5aH-cyclopropa[g]quinoline
CID 141944498
7a,8-Dihydrocyclopropa[i]isoquinoline;ethane
CID 142112818
7a,8-Dihydrocyclopropa[i]isoquinoline
CID 142112819

Frequently Asked Questions

What is the IUPAC name of 6,6a-dimethyl-5a,6-dihydrocyclopropa[g]quinoline?
The IUPAC name of 6,6a-dimethyl-5a,6-dihydrocyclopropa[g]quinoline (CID 123747638) is 6,6a-dimethyl-5a,6-dihydrocyclopropa[g]quinoline.
What is the SMILES notation for 6,6a-dimethyl-5a,6-dihydrocyclopropa[g]quinoline?
The canonical SMILES for 6,6a-dimethyl-5a,6-dihydrocyclopropa[g]quinoline is CC1C2C=c3cccnc3=CC12C.
What is the InChIKey of 6,6a-dimethyl-5a,6-dihydrocyclopropa[g]quinoline?
The InChIKey is DBXWGQMPKWZKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N/c1-8-10-6-9-4-3-5-13-11(9)7-12(8,10)2/h3-8,10H,1-2H3.
What are the key properties of 6,6a-dimethyl-5a,6-dihydrocyclopropa[g]quinoline?
6,6a-dimethyl-5a,6-dihydrocyclopropa[g]quinoline has a molecular weight of 171.24 g/mol, XLogP of 0.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6a-dimethyl-5a,6-dihydrocyclopropa[g]quinoline is sourced from PubChem (CID 123747638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).