1-[2-(5,6,7,8-tetrahydroquinolin-3-yloxy)ethyl]cyclopropane-1-carbonitrile

C15H18N2O — CID 167869238

IUPAC1-[2-(5,6,7,8-tetrahydroquinolin-3-yloxy)ethyl]cyclopropane-1-carbonitrile
SMILESN#CC1(CCOc2cnc3c(c2)CCCC3)CC1
InChIInChI=1S/C15H18N2O/c16-11-15(5-6-15)7-8-18-13-9-12-3-1-2-4-14(12)17-10-13/h9-10H,1-8H2
InChIKeyREBNFLVIWYNEBK-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.03
Rot. Bonds4

About 1-[2-(5,6,7,8-tetrahydroquinolin-3-yloxy)ethyl]cyclopropane-1-carbonitrile

1-[2-(5,6,7,8-tetrahydroquinolin-3-yloxy)ethyl]cyclopropane-1-carbonitrile (PubChem CID 167869238) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[2-(5,6,7,8-tetrahydroquinolin-3-yloxy)ethyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[2-(5,6,7,8-tetrahydroquinolin-3-yloxy)ethyl]cyclopropane-1-carbonitrile
PubChem CID167869238
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-[2-(5,6,7,8-tetrahydroquinolin-3-yloxy)ethyl]cyclopropane-1-carbonitrile
SMILESN#CC1(CCOc2cnc3c(c2)CCCC3)CC1
InChIInChI=1S/C15H18N2O/c16-11-15(5-6-15)7-8-18-13-9-12-3-1-2-4-14(12)17-10-13/h9-10H,1-8H2
InChIKeyREBNFLVIWYNEBK-UHFFFAOYSA-N
XLogP3.03
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5,6,7,8-tetrahydroquinolin-3-yloxy)ethyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[2-(5,6,7,8-tetrahydroquinolin-3-yloxy)ethyl]cyclopropane-1-carbonitrile (CID 167869238) is 1-[2-(5,6,7,8-tetrahydroquinolin-3-yloxy)ethyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[2-(5,6,7,8-tetrahydroquinolin-3-yloxy)ethyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[2-(5,6,7,8-tetrahydroquinolin-3-yloxy)ethyl]cyclopropane-1-carbonitrile is N#CC1(CCOc2cnc3c(c2)CCCC3)CC1.
What is the InChIKey of 1-[2-(5,6,7,8-tetrahydroquinolin-3-yloxy)ethyl]cyclopropane-1-carbonitrile?
The InChIKey is REBNFLVIWYNEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c16-11-15(5-6-15)7-8-18-13-9-12-3-1-2-4-14(12)17-10-13/h9-10H,1-8H2.
What are the key properties of 1-[2-(5,6,7,8-tetrahydroquinolin-3-yloxy)ethyl]cyclopropane-1-carbonitrile?
1-[2-(5,6,7,8-tetrahydroquinolin-3-yloxy)ethyl]cyclopropane-1-carbonitrile has a molecular weight of 242.32 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5,6,7,8-tetrahydroquinolin-3-yloxy)ethyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 167869238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).