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

C15H23N — CID 155731561

IUPACethane;4-methyl-6,6a-dihydro-5aH-cyclopropa[g]quinoline
SMILESCC.CC.Cc1ccnc2c1=CC1CC1C=2
InChIInChI=1S/C11H11N.2C2H6/c1-7-2-3-12-11-6-9-4-8(9)5-10(7)11;2*1-2/h2-3,5-6,8-9H,4H2,1H3;2*1-2H3
InChIKeyMQOODRQGEZAUCP-UHFFFAOYSA-N
MW217.36 g/mol
LogP2.65
Rot. Bonds

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

ethane;4-methyl-6,6a-dihydro-5aH-cyclopropa[g]quinoline (PubChem CID 155731561) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is ethane;4-methyl-6,6a-dihydro-5aH-cyclopropa[g]quinoline.

Molecular Properties

Compound Nameethane;4-methyl-6,6a-dihydro-5aH-cyclopropa[g]quinoline
PubChem CID155731561
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Nameethane;4-methyl-6,6a-dihydro-5aH-cyclopropa[g]quinoline
SMILESCC.CC.Cc1ccnc2c1=CC1CC1C=2
InChIInChI=1S/C11H11N.2C2H6/c1-7-2-3-12-11-6-9-4-8(9)5-10(7)11;2*1-2/h2-3,5-6,8-9H,4H2,1H3;2*1-2H3
InChIKeyMQOODRQGEZAUCP-UHFFFAOYSA-N
XLogP2.65
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methylidene-8aH-isoquinoline
CID 72577554
(7R)-7-methyl-6,7-dihydroquinoline
CID 89356030
5,6-Dimethyl-6,7-dihydroquinoline
CID 89495195
4,5-Dimethyl-6,7-dihydroquinoline
CID 89495206
4,7-Dimethyl-6,7-dihydroquinoline
CID 89495207
7,8-Dimethyl-6,7-dihydroquinoline
CID 89495225
4-Methyl-6,7-dihydroquinoline
CID 89821022
2,3-Di(ethylidene)-4-propan-2-ylpyridine
CID 91324852
8-Propan-2-ylcyclohepta[b]pyridine
CID 123317223
7-(3,5-dimethyl-4,5-dihydro-3H-pyridin-2-ylidene)-2-azabicyclo[4.1.0]hepta-2,5-diene
CID 123351395
6-Methyl-4a,5-dihydroquinoline
CID 123352229
8-Methyl-4a,5-dihydroquinoline
CID 123376596

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-6,6a-dihydro-5aH-cyclopropa[g]quinoline?
The IUPAC name of ethane;4-methyl-6,6a-dihydro-5aH-cyclopropa[g]quinoline (CID 155731561) is ethane;4-methyl-6,6a-dihydro-5aH-cyclopropa[g]quinoline.
What is the SMILES notation for ethane;4-methyl-6,6a-dihydro-5aH-cyclopropa[g]quinoline?
The canonical SMILES for ethane;4-methyl-6,6a-dihydro-5aH-cyclopropa[g]quinoline is CC.CC.Cc1ccnc2c1=CC1CC1C=2.
What is the InChIKey of ethane;4-methyl-6,6a-dihydro-5aH-cyclopropa[g]quinoline?
The InChIKey is MQOODRQGEZAUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N.2C2H6/c1-7-2-3-12-11-6-9-4-8(9)5-10(7)11;2*1-2/h2-3,5-6,8-9H,4H2,1H3;2*1-2H3.
What are the key properties of ethane;4-methyl-6,6a-dihydro-5aH-cyclopropa[g]quinoline?
ethane;4-methyl-6,6a-dihydro-5aH-cyclopropa[g]quinoline has a molecular weight of 217.36 g/mol, XLogP of 2.65, 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]quinoline is sourced from PubChem (CID 155731561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).