2,3-dihydroquinoline;ethane

C11H15N — CID 142085507

IUPAC2,3-dihydroquinoline;ethane
SMILESC1=c2ccccc2=NCC1.CC
InChIInChI=1S/C9H9N.C2H6/c1-2-6-9-8(4-1)5-3-7-10-9;1-2/h1-2,4-6H,3,7H2;1-2H3
InChIKeyBTWCHTSUKSNIIO-UHFFFAOYSA-N
MW161.25 g/mol
LogP1.52
Rot. Bonds

About 2,3-dihydroquinoline;ethane

2,3-dihydroquinoline;ethane (PubChem CID 142085507) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 2,3-dihydroquinoline;ethane.

Molecular Properties

Compound Name2,3-dihydroquinoline;ethane
PubChem CID142085507
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name2,3-dihydroquinoline;ethane
SMILESC1=c2ccccc2=NCC1.CC
InChIInChI=1S/C9H9N.C2H6/c1-2-6-9-8(4-1)5-3-7-10-9;1-2/h1-2,4-6H,3,7H2;1-2H3
InChIKeyBTWCHTSUKSNIIO-UHFFFAOYSA-N
XLogP1.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroquinoline;ethane?
The IUPAC name of 2,3-dihydroquinoline;ethane (CID 142085507) is 2,3-dihydroquinoline;ethane.
What is the SMILES notation for 2,3-dihydroquinoline;ethane?
The canonical SMILES for 2,3-dihydroquinoline;ethane is C1=c2ccccc2=NCC1.CC.
What is the InChIKey of 2,3-dihydroquinoline;ethane?
The InChIKey is BTWCHTSUKSNIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N.C2H6/c1-2-6-9-8(4-1)5-3-7-10-9;1-2/h1-2,4-6H,3,7H2;1-2H3.
What are the key properties of 2,3-dihydroquinoline;ethane?
2,3-dihydroquinoline;ethane has a molecular weight of 161.25 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroquinoline;ethane is sourced from PubChem (CID 142085507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).