(2R,4aR,8aR)-2-(furan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline

C13H19NO — CID 134857435

IUPAC(2R,4aR,8aR)-2-(furan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
SMILESc1coc([C@H]2CC[C@H]3CCCC[C@H]3N2)c1
InChIInChI=1S/C13H19NO/c1-2-5-11-10(4-1)7-8-12(14-11)13-6-3-9-15-13/h3,6,9-12,14H,1-2,4-5,7-8H2/t10-,11-,12-/m1/s1
InChIKeyVVBLSTVLDSRZNT-IJLUTSLNSA-N
MW205.30 g/mol
LogP3.26
Rot. Bonds1

About (2R,4aR,8aR)-2-(furan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline

(2R,4aR,8aR)-2-(furan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline (PubChem CID 134857435) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (2R,4aR,8aR)-2-(furan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline.

Molecular Properties

Compound Name(2R,4aR,8aR)-2-(furan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
PubChem CID134857435
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(2R,4aR,8aR)-2-(furan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
SMILESc1coc([C@H]2CC[C@H]3CCCC[C@H]3N2)c1
InChIInChI=1S/C13H19NO/c1-2-5-11-10(4-1)7-8-12(14-11)13-6-3-9-15-13/h3,6,9-12,14H,1-2,4-5,7-8H2/t10-,11-,12-/m1/s1
InChIKeyVVBLSTVLDSRZNT-IJLUTSLNSA-N
XLogP3.26
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4aR,8aR)-2-(furan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The IUPAC name of (2R,4aR,8aR)-2-(furan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline (CID 134857435) is (2R,4aR,8aR)-2-(furan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline.
What is the SMILES notation for (2R,4aR,8aR)-2-(furan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The canonical SMILES for (2R,4aR,8aR)-2-(furan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline is c1coc([C@H]2CC[C@H]3CCCC[C@H]3N2)c1.
What is the InChIKey of (2R,4aR,8aR)-2-(furan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The InChIKey is VVBLSTVLDSRZNT-IJLUTSLNSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-5-11-10(4-1)7-8-12(14-11)13-6-3-9-15-13/h3,6,9-12,14H,1-2,4-5,7-8H2/t10-,11-,12-/m1/s1.
What are the key properties of (2R,4aR,8aR)-2-(furan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
(2R,4aR,8aR)-2-(furan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline has a molecular weight of 205.30 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4aR,8aR)-2-(furan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline is sourced from PubChem (CID 134857435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).