(4aS,5R,9bS)-1-methyl-5-phenyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine

C19H21N — CID 3065150

IUPAC(4aS,5R,9bS)-1-methyl-5-phenyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine
SMILESCN1CCC[C@H]2[C@H](c3ccccc3)c3ccccc3[C@H]21
InChIInChI=1S/C19H21N/c1-20-13-7-12-17-18(14-8-3-2-4-9-14)15-10-5-6-11-16(15)19(17)20/h2-6,8-11,17-19H,7,12-13H2,1H3/t17-,18+,19+/m0/s1
InChIKeyZFTCDHKYTKCNGS-IPMKNSEASA-N
MW263.38 g/mol
LogP4.22
Rot. Bonds1

About (4aS,5R,9bS)-1-methyl-5-phenyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine

(4aS,5R,9bS)-1-methyl-5-phenyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine (PubChem CID 3065150) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is (4aS,5R,9bS)-1-methyl-5-phenyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine.

Molecular Properties

Compound Name(4aS,5R,9bS)-1-methyl-5-phenyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine
PubChem CID3065150
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC Name(4aS,5R,9bS)-1-methyl-5-phenyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine
SMILESCN1CCC[C@H]2[C@H](c3ccccc3)c3ccccc3[C@H]21
InChIInChI=1S/C19H21N/c1-20-13-7-12-17-18(14-8-3-2-4-9-14)15-10-5-6-11-16(15)19(17)20/h2-6,8-11,17-19H,7,12-13H2,1H3/t17-,18+,19+/m0/s1
InChIKeyZFTCDHKYTKCNGS-IPMKNSEASA-N
XLogP4.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4aS,5R,9bS)-1-methyl-5-phenyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine?
The IUPAC name of (4aS,5R,9bS)-1-methyl-5-phenyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine (CID 3065150) is (4aS,5R,9bS)-1-methyl-5-phenyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine.
What is the SMILES notation for (4aS,5R,9bS)-1-methyl-5-phenyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine?
The canonical SMILES for (4aS,5R,9bS)-1-methyl-5-phenyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine is CN1CCC[C@H]2[C@H](c3ccccc3)c3ccccc3[C@H]21.
What is the InChIKey of (4aS,5R,9bS)-1-methyl-5-phenyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine?
The InChIKey is ZFTCDHKYTKCNGS-IPMKNSEASA-N. The full InChI is InChI=1S/C19H21N/c1-20-13-7-12-17-18(14-8-3-2-4-9-14)15-10-5-6-11-16(15)19(17)20/h2-6,8-11,17-19H,7,12-13H2,1H3/t17-,18+,19+/m0/s1.
What are the key properties of (4aS,5R,9bS)-1-methyl-5-phenyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine?
(4aS,5R,9bS)-1-methyl-5-phenyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine has a molecular weight of 263.38 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,5R,9bS)-1-methyl-5-phenyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine is sourced from PubChem (CID 3065150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).