7-pyrrolidin-1-yl-6,7,8,8a-tetrahydroquinoline

C13H18N2 — CID 57072369

IUPAC7-pyrrolidin-1-yl-6,7,8,8a-tetrahydroquinoline
SMILESC1=CC2=CCC(N3CCCC3)CC2N=C1
InChIInChI=1S/C13H18N2/c1-2-9-15(8-1)12-6-5-11-4-3-7-14-13(11)10-12/h3-5,7,12-13H,1-2,6,8-10H2
InChIKeyOCUAEDXGPLXINK-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.18
Rot. Bonds1

About 7-pyrrolidin-1-yl-6,7,8,8a-tetrahydroquinoline

7-pyrrolidin-1-yl-6,7,8,8a-tetrahydroquinoline (PubChem CID 57072369) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 7-pyrrolidin-1-yl-6,7,8,8a-tetrahydroquinoline.

Molecular Properties

Compound Name7-pyrrolidin-1-yl-6,7,8,8a-tetrahydroquinoline
PubChem CID57072369
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name7-pyrrolidin-1-yl-6,7,8,8a-tetrahydroquinoline
SMILESC1=CC2=CCC(N3CCCC3)CC2N=C1
InChIInChI=1S/C13H18N2/c1-2-9-15(8-1)12-6-5-11-4-3-7-14-13(11)10-12/h3-5,7,12-13H,1-2,6,8-10H2
InChIKeyOCUAEDXGPLXINK-UHFFFAOYSA-N
XLogP2.18
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-pyrrolidin-1-yl-6,7,8,8a-tetrahydroquinoline?
The IUPAC name of 7-pyrrolidin-1-yl-6,7,8,8a-tetrahydroquinoline (CID 57072369) is 7-pyrrolidin-1-yl-6,7,8,8a-tetrahydroquinoline.
What is the SMILES notation for 7-pyrrolidin-1-yl-6,7,8,8a-tetrahydroquinoline?
The canonical SMILES for 7-pyrrolidin-1-yl-6,7,8,8a-tetrahydroquinoline is C1=CC2=CCC(N3CCCC3)CC2N=C1.
What is the InChIKey of 7-pyrrolidin-1-yl-6,7,8,8a-tetrahydroquinoline?
The InChIKey is OCUAEDXGPLXINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-2-9-15(8-1)12-6-5-11-4-3-7-14-13(11)10-12/h3-5,7,12-13H,1-2,6,8-10H2.
What are the key properties of 7-pyrrolidin-1-yl-6,7,8,8a-tetrahydroquinoline?
7-pyrrolidin-1-yl-6,7,8,8a-tetrahydroquinoline has a molecular weight of 202.30 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyrrolidin-1-yl-6,7,8,8a-tetrahydroquinoline is sourced from PubChem (CID 57072369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).