ethane;3-methyl-4-methylidene-4aH-quinoline

C13H17N — CID 143168273

IUPACethane;3-methyl-4-methylidene-4aH-quinoline
SMILESC=C1C(C)=CN=C2C=CC=CC12.CC
InChIInChI=1S/C11H11N.C2H6/c1-8-7-12-11-6-4-3-5-10(11)9(8)2;1-2/h3-7,10H,2H2,1H3;1-2H3
InChIKeyIWFSKAHFOVWZFY-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.67
Rot. Bonds

About ethane;3-methyl-4-methylidene-4aH-quinoline

ethane;3-methyl-4-methylidene-4aH-quinoline (PubChem CID 143168273) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is ethane;3-methyl-4-methylidene-4aH-quinoline.

Molecular Properties

Compound Nameethane;3-methyl-4-methylidene-4aH-quinoline
PubChem CID143168273
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Nameethane;3-methyl-4-methylidene-4aH-quinoline
SMILESC=C1C(C)=CN=C2C=CC=CC12.CC
InChIInChI=1S/C11H11N.C2H6/c1-8-7-12-11-6-4-3-5-10(11)9(8)2;1-2/h3-7,10H,2H2,1H3;1-2H3
InChIKeyIWFSKAHFOVWZFY-UHFFFAOYSA-N
XLogP3.67
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-Fluoro-4-methyl-8-propan-2-yl-2,3-dihydroquinoline
CID 144455889
3-Fluoro-5-propan-2-yl-2,3-dihydroquinoline
CID 163719688
2,5-di(propan-2-yl)-3H-azepine
CID 10241356
4-[(3Z,5E)-5-fluorohepta-3,5-dien-2-yl]-2-methyl-3H-pyrrole
CID 142825982
(Z)-N-ethenyl-3-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-4,5-dimethylhept-3-en-2-imine
CID 144383744
7-methyl-7H-indole
CID 20381758
2,3,4,4a-Tetrahydroquinoline
CID 20394214
2,3,4-Trimethyl-2,3-dihydroquinoline
CID 20469210
1,2,9a,10a-Tetrahydroacridine
CID 54486130
N-ethyl-1,11,11a,11b-tetrahydrobenzo[a]quinolizin-2-imine
CID 57095023
3,4,6,6a-Tetrahydrophenanthridine
CID 57146613
4,10a-dihydro-1H-benzo[c][1]benzazepine
CID 57190730

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-4-methylidene-4aH-quinoline?
The IUPAC name of ethane;3-methyl-4-methylidene-4aH-quinoline (CID 143168273) is ethane;3-methyl-4-methylidene-4aH-quinoline.
What is the SMILES notation for ethane;3-methyl-4-methylidene-4aH-quinoline?
The canonical SMILES for ethane;3-methyl-4-methylidene-4aH-quinoline is C=C1C(C)=CN=C2C=CC=CC12.CC.
What is the InChIKey of ethane;3-methyl-4-methylidene-4aH-quinoline?
The InChIKey is IWFSKAHFOVWZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N.C2H6/c1-8-7-12-11-6-4-3-5-10(11)9(8)2;1-2/h3-7,10H,2H2,1H3;1-2H3.
What are the key properties of ethane;3-methyl-4-methylidene-4aH-quinoline?
ethane;3-methyl-4-methylidene-4aH-quinoline has a molecular weight of 187.29 g/mol, XLogP of 3.67, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-4-methylidene-4aH-quinoline is sourced from PubChem (CID 143168273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).