3-[(3aR,4R,9bR)-6-methyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol

C15H21NO2 — CID 102513449

IUPAC3-[(3aR,4R,9bR)-6-methyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol
SMILESCc1cccc2c1N[C@H](CCCO)[C@H]1CCO[C@@H]21
InChIInChI=1S/C15H21NO2/c1-10-4-2-5-12-14(10)16-13(6-3-8-17)11-7-9-18-15(11)12/h2,4-5,11,13,15-17H,3,6-9H2,1H3/t11-,13-,15-/m1/s1
InChIKeyJNWWBJPVSBSMOC-UXIGCNINSA-N
MW247.34 g/mol
LogP2.64
Rot. Bonds3

About 3-[(3aR,4R,9bR)-6-methyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol

3-[(3aR,4R,9bR)-6-methyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol (PubChem CID 102513449) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-[(3aR,4R,9bR)-6-methyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(3aR,4R,9bR)-6-methyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol
PubChem CID102513449
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-[(3aR,4R,9bR)-6-methyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol
SMILESCc1cccc2c1N[C@H](CCCO)[C@H]1CCO[C@@H]21
InChIInChI=1S/C15H21NO2/c1-10-4-2-5-12-14(10)16-13(6-3-8-17)11-7-9-18-15(11)12/h2,4-5,11,13,15-17H,3,6-9H2,1H3/t11-,13-,15-/m1/s1
InChIKeyJNWWBJPVSBSMOC-UXIGCNINSA-N
XLogP2.64
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3aR,4R,9bR)-6-methyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol?
The IUPAC name of 3-[(3aR,4R,9bR)-6-methyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol (CID 102513449) is 3-[(3aR,4R,9bR)-6-methyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol.
What is the SMILES notation for 3-[(3aR,4R,9bR)-6-methyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol?
The canonical SMILES for 3-[(3aR,4R,9bR)-6-methyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol is Cc1cccc2c1N[C@H](CCCO)[C@H]1CCO[C@@H]21.
What is the InChIKey of 3-[(3aR,4R,9bR)-6-methyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol?
The InChIKey is JNWWBJPVSBSMOC-UXIGCNINSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10-4-2-5-12-14(10)16-13(6-3-8-17)11-7-9-18-15(11)12/h2,4-5,11,13,15-17H,3,6-9H2,1H3/t11-,13-,15-/m1/s1.
What are the key properties of 3-[(3aR,4R,9bR)-6-methyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol?
3-[(3aR,4R,9bR)-6-methyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol has a molecular weight of 247.34 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3aR,4R,9bR)-6-methyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol is sourced from PubChem (CID 102513449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).