ethane;4-ethenyl-1,8a-dihydroquinoline

C13H17N — CID 143596129

IUPACethane;4-ethenyl-1,8a-dihydroquinoline
SMILESC=CC1=C2C=CC=CC2NC=C1.CC
InChIInChI=1S/C11H11N.C2H6/c1-2-9-7-8-12-11-6-4-3-5-10(9)11;1-2/h2-8,11-12H,1H2;1-2H3
InChIKeyJRHBCNRUDQHXEO-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.11
Rot. Bonds1

About ethane;4-ethenyl-1,8a-dihydroquinoline

ethane;4-ethenyl-1,8a-dihydroquinoline (PubChem CID 143596129) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is ethane;4-ethenyl-1,8a-dihydroquinoline.

Molecular Properties

Compound Nameethane;4-ethenyl-1,8a-dihydroquinoline
PubChem CID143596129
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Nameethane;4-ethenyl-1,8a-dihydroquinoline
SMILESC=CC1=C2C=CC=CC2NC=C1.CC
InChIInChI=1S/C11H11N.C2H6/c1-2-9-7-8-12-11-6-4-3-5-10(9)11;1-2/h2-8,11-12H,1H2;1-2H3
InChIKeyJRHBCNRUDQHXEO-UHFFFAOYSA-N
XLogP3.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

CID 145233283
CID 145233283
2-[5-(3,5-dimethylphenyl)-2-ethenylphenyl]-1,2-dihydropyridine
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5-bromo-1,8a-dihydrocyclohepta[b]pyrrole
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1,7a-dihydro-2,1-benzoxazole
CID 91416375
5-methylidene-6-prop-2-enylcyclohexa-1,3-diene;2H-triazole
CID 174823510
9-methyl-8a,9a-dihydrocarbazole
CID 121338970
2,3,3a,4,5,5a-hexahydrofuro[3,2-c]quinoline
CID 68682777
1-hex-5-enyl-3aH-indene
CID 22899034
2-[2-ethenyl-5-[3-(2-methylpropyl)phenyl]phenyl]-1,2-dihydropyridine
CID 145295491
5,10a-dihydro-4aH-benzo[b][1,4]benzodiazepine
CID 173062828
12-(1,8a-dihydroquinolin-4-yl)-5-[2,6-di(carbazol-9-yl)-4-pyridinyl]indolo[3,2-c]carbazole
CID 89094978

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethenyl-1,8a-dihydroquinoline?
The IUPAC name of ethane;4-ethenyl-1,8a-dihydroquinoline (CID 143596129) is ethane;4-ethenyl-1,8a-dihydroquinoline.
What is the SMILES notation for ethane;4-ethenyl-1,8a-dihydroquinoline?
The canonical SMILES for ethane;4-ethenyl-1,8a-dihydroquinoline is C=CC1=C2C=CC=CC2NC=C1.CC.
What is the InChIKey of ethane;4-ethenyl-1,8a-dihydroquinoline?
The InChIKey is JRHBCNRUDQHXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N.C2H6/c1-2-9-7-8-12-11-6-4-3-5-10(9)11;1-2/h2-8,11-12H,1H2;1-2H3.
What are the key properties of ethane;4-ethenyl-1,8a-dihydroquinoline?
ethane;4-ethenyl-1,8a-dihydroquinoline has a molecular weight of 187.29 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethenyl-1,8a-dihydroquinoline is sourced from PubChem (CID 143596129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).