2-ethyl-3,8a-dihydroquinoline

C11H13N — CID 91452614

IUPAC2-ethyl-3,8a-dihydroquinoline
SMILESCCC1=NC2C=CC=CC2=CC1
InChIInChI=1S/C11H13N/c1-2-10-8-7-9-5-3-4-6-11(9)12-10/h3-7,11H,2,8H2,1H3
InChIKeyQKAQOIUQGDNTLV-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.66
Rot. Bonds1

About 2-ethyl-3,8a-dihydroquinoline

2-ethyl-3,8a-dihydroquinoline (PubChem CID 91452614) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-ethyl-3,8a-dihydroquinoline.

Molecular Properties

Compound Name2-ethyl-3,8a-dihydroquinoline
PubChem CID91452614
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name2-ethyl-3,8a-dihydroquinoline
SMILESCCC1=NC2C=CC=CC2=CC1
InChIInChI=1S/C11H13N/c1-2-10-8-7-9-5-3-4-6-11(9)12-10/h3-7,11H,2,8H2,1H3
InChIKeyQKAQOIUQGDNTLV-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8aH-carbazole
CID 9548747
3h-Quinoline
CID 22027752
2-methyl-2H-indole
CID 58371059
4-Methyl-2,3-dihydroquinoline
CID 68274032
Diethylideneaniline
CID 70417807
4a,9a-Dihydroacridine
CID 89376300
Bis-propylideneaniline
CID 129791915
2,3,3-Trimethylquinoline
CID 141733304
7-Fluoro-3-methyl-2-prop-1-enyl-2,3-dihydroquinoline
CID 91172116
6-Fluoro-2-methyl-8,8a-dihydroquinoline
CID 130413071
7-Fluoro-2,3-dihydroquinoline
CID 151940112
2-Fluoro-2,3-dihydroquinoline
CID 152083894

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,8a-dihydroquinoline?
The IUPAC name of 2-ethyl-3,8a-dihydroquinoline (CID 91452614) is 2-ethyl-3,8a-dihydroquinoline.
What is the SMILES notation for 2-ethyl-3,8a-dihydroquinoline?
The canonical SMILES for 2-ethyl-3,8a-dihydroquinoline is CCC1=NC2C=CC=CC2=CC1.
What is the InChIKey of 2-ethyl-3,8a-dihydroquinoline?
The InChIKey is QKAQOIUQGDNTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-2-10-8-7-9-5-3-4-6-11(9)12-10/h3-7,11H,2,8H2,1H3.
What are the key properties of 2-ethyl-3,8a-dihydroquinoline?
2-ethyl-3,8a-dihydroquinoline has a molecular weight of 159.23 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,8a-dihydroquinoline is sourced from PubChem (CID 91452614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).