(2S)-2-(furan-2-yl)-1,2,3,4-tetrahydroquinoline

C13H13NO — CID 134957787

IUPAC(2S)-2-(furan-2-yl)-1,2,3,4-tetrahydroquinoline
SMILESc1coc([C@@H]2CCc3ccccc3N2)c1
InChIInChI=1S/C13H13NO/c1-2-5-11-10(4-1)7-8-12(14-11)13-6-3-9-15-13/h1-6,9,12,14H,7-8H2/t12-/m0/s1
InChIKeyKPQQMSMNJLGIEM-LBPRGKRZSA-N
MW199.25 g/mol
LogP3.38
Rot. Bonds1

About (2S)-2-(furan-2-yl)-1,2,3,4-tetrahydroquinoline

(2S)-2-(furan-2-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 134957787) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is (2S)-2-(furan-2-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name(2S)-2-(furan-2-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID134957787
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name(2S)-2-(furan-2-yl)-1,2,3,4-tetrahydroquinoline
SMILESc1coc([C@@H]2CCc3ccccc3N2)c1
InChIInChI=1S/C13H13NO/c1-2-5-11-10(4-1)7-8-12(14-11)13-6-3-9-15-13/h1-6,9,12,14H,7-8H2/t12-/m0/s1
InChIKeyKPQQMSMNJLGIEM-LBPRGKRZSA-N
XLogP3.38
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(furan-2-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of (2S)-2-(furan-2-yl)-1,2,3,4-tetrahydroquinoline (CID 134957787) is (2S)-2-(furan-2-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for (2S)-2-(furan-2-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for (2S)-2-(furan-2-yl)-1,2,3,4-tetrahydroquinoline is c1coc([C@@H]2CCc3ccccc3N2)c1.
What is the InChIKey of (2S)-2-(furan-2-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is KPQQMSMNJLGIEM-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H13NO/c1-2-5-11-10(4-1)7-8-12(14-11)13-6-3-9-15-13/h1-6,9,12,14H,7-8H2/t12-/m0/s1.
What are the key properties of (2S)-2-(furan-2-yl)-1,2,3,4-tetrahydroquinoline?
(2S)-2-(furan-2-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 199.25 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(furan-2-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 134957787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).