2-ethyl-4a,8a-dihydroquinoline

C11H13N — CID 59921116

IUPAC2-ethyl-4a,8a-dihydroquinoline
SMILESCCC1=NC2C=CC=CC2C=C1
InChIInChI=1S/C11H13N/c1-2-10-8-7-9-5-3-4-6-11(9)12-10/h3-9,11H,2H2,1H3
InChIKeyVMMIGKJUNNELDM-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.52
Rot. Bonds1

About 2-ethyl-4a,8a-dihydroquinoline

2-ethyl-4a,8a-dihydroquinoline (PubChem CID 59921116) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-ethyl-4a,8a-dihydroquinoline.

Molecular Properties

Compound Name2-ethyl-4a,8a-dihydroquinoline
PubChem CID59921116
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name2-ethyl-4a,8a-dihydroquinoline
SMILESCCC1=NC2C=CC=CC2C=C1
InChIInChI=1S/C11H13N/c1-2-10-8-7-9-5-3-4-6-11(9)12-10/h3-9,11H,2H2,1H3
InChIKeyVMMIGKJUNNELDM-UHFFFAOYSA-N
XLogP2.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4a,8a-dihydroquinoline?
The IUPAC name of 2-ethyl-4a,8a-dihydroquinoline (CID 59921116) is 2-ethyl-4a,8a-dihydroquinoline.
What is the SMILES notation for 2-ethyl-4a,8a-dihydroquinoline?
The canonical SMILES for 2-ethyl-4a,8a-dihydroquinoline is CCC1=NC2C=CC=CC2C=C1.
What is the InChIKey of 2-ethyl-4a,8a-dihydroquinoline?
The InChIKey is VMMIGKJUNNELDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-2-10-8-7-9-5-3-4-6-11(9)12-10/h3-9,11H,2H2,1H3.
What are the key properties of 2-ethyl-4a,8a-dihydroquinoline?
2-ethyl-4a,8a-dihydroquinoline has a molecular weight of 159.23 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4a,8a-dihydroquinoline is sourced from PubChem (CID 59921116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).