3,6-dimethyl-1,1a-dihydrocyclopropa[d]quinoline

C12H13N — CID 142925621

IUPAC3,6-dimethyl-1,1a-dihydrocyclopropa[d]quinoline
SMILESCC1=CC2=NC(C)=CC3CC23C=C1
InChIInChI=1S/C12H13N/c1-8-3-4-12-7-10(12)6-9(2)13-11(12)5-8/h3-6,10H,7H2,1-2H3
InChIKeyOGROQTJADCKMEW-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.87
Rot. Bonds

About 3,6-dimethyl-1,1a-dihydrocyclopropa[d]quinoline

3,6-dimethyl-1,1a-dihydrocyclopropa[d]quinoline (PubChem CID 142925621) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is 3,6-dimethyl-1,1a-dihydrocyclopropa[d]quinoline.

Molecular Properties

Compound Name3,6-dimethyl-1,1a-dihydrocyclopropa[d]quinoline
PubChem CID142925621
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name3,6-dimethyl-1,1a-dihydrocyclopropa[d]quinoline
SMILESCC1=CC2=NC(C)=CC3CC23C=C1
InChIInChI=1S/C12H13N/c1-8-3-4-12-7-10(12)6-9(2)13-11(12)5-8/h3-6,10H,7H2,1-2H3
InChIKeyOGROQTJADCKMEW-UHFFFAOYSA-N
XLogP2.87
TPSA12.36 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 ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Azacaradiene
CID 129872828
2-Ethyl-4-methyl-4,4a-dihydroquinoline
CID 66608600
(8aR)-8a-methyl-3,9-dihydro-2H-acridine
CID 68052702
6,6a-Dimethyl-5a,6-dihydrocyclopropa[g]quinoline
CID 123747638
(4aR)-3-ethyl-2,4-dimethyl-4,4a-dihydroquinoline
CID 138718107
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
2-Methyl-1,1a-dihydrocyclopropa[d]quinoline
CID 142233469
7-Methyl-7a,8-dihydrocyclopropa[e]quinoline
CID 142233483
9,10,10-Trimethyl-8-azatricyclo[5.3.0.01,3]deca-4,6,8-triene
CID 143027531
Ethene;3-methyl-7a,8-dihydrocyclopropa[i]isoquinoline
CID 143041272

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1,1a-dihydrocyclopropa[d]quinoline?
The IUPAC name of 3,6-dimethyl-1,1a-dihydrocyclopropa[d]quinoline (CID 142925621) is 3,6-dimethyl-1,1a-dihydrocyclopropa[d]quinoline.
What is the SMILES notation for 3,6-dimethyl-1,1a-dihydrocyclopropa[d]quinoline?
The canonical SMILES for 3,6-dimethyl-1,1a-dihydrocyclopropa[d]quinoline is CC1=CC2=NC(C)=CC3CC23C=C1.
What is the InChIKey of 3,6-dimethyl-1,1a-dihydrocyclopropa[d]quinoline?
The InChIKey is OGROQTJADCKMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N/c1-8-3-4-12-7-10(12)6-9(2)13-11(12)5-8/h3-6,10H,7H2,1-2H3.
What are the key properties of 3,6-dimethyl-1,1a-dihydrocyclopropa[d]quinoline?
3,6-dimethyl-1,1a-dihydrocyclopropa[d]quinoline has a molecular weight of 171.24 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1,1a-dihydrocyclopropa[d]quinoline is sourced from PubChem (CID 142925621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).