(4aS,9bR)-6-(2,4-dichlorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-c]pyridine

C18H17Cl2N — CID 58827019

IUPAC(4aS,9bR)-6-(2,4-dichlorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-c]pyridine
SMILESClc1ccc(-c2cccc3c2C[C@H]2CCNC[C@@H]32)c(Cl)c1
InChIInChI=1S/C18H17Cl2N/c19-12-4-5-15(18(20)9-12)13-2-1-3-14-16(13)8-11-6-7-21-10-17(11)14/h1-5,9,11,17,21H,6-8,10H2/t11-,17-/m1/s1
InChIKeyKZPPFMBFVUYYAY-PIGZYNQJSA-N
MW318.25 g/mol
LogP4.91
Rot. Bonds1

About (4aS,9bR)-6-(2,4-dichlorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-c]pyridine

(4aS,9bR)-6-(2,4-dichlorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-c]pyridine (PubChem CID 58827019) has the molecular formula C18H17Cl2N and a molecular weight of 318.25 g/mol. Its IUPAC name is (4aS,9bR)-6-(2,4-dichlorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-c]pyridine.

Molecular Properties

Compound Name(4aS,9bR)-6-(2,4-dichlorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-c]pyridine
PubChem CID58827019
Molecular FormulaC18H17Cl2N
Molecular Weight318.25 g/mol
Exact Mass317.07
IUPAC Name(4aS,9bR)-6-(2,4-dichlorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-c]pyridine
SMILESClc1ccc(-c2cccc3c2C[C@H]2CCNC[C@@H]32)c(Cl)c1
InChIInChI=1S/C18H17Cl2N/c19-12-4-5-15(18(20)9-12)13-2-1-3-14-16(13)8-11-6-7-21-10-17(11)14/h1-5,9,11,17,21H,6-8,10H2/t11-,17-/m1/s1
InChIKeyKZPPFMBFVUYYAY-PIGZYNQJSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.25
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4aS,9bR)-6-(2,4-dichlorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-c]pyridine?
The IUPAC name of (4aS,9bR)-6-(2,4-dichlorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-c]pyridine (CID 58827019) is (4aS,9bR)-6-(2,4-dichlorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-c]pyridine.
What is the SMILES notation for (4aS,9bR)-6-(2,4-dichlorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-c]pyridine?
The canonical SMILES for (4aS,9bR)-6-(2,4-dichlorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-c]pyridine is Clc1ccc(-c2cccc3c2C[C@H]2CCNC[C@@H]32)c(Cl)c1.
What is the InChIKey of (4aS,9bR)-6-(2,4-dichlorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-c]pyridine?
The InChIKey is KZPPFMBFVUYYAY-PIGZYNQJSA-N. The full InChI is InChI=1S/C18H17Cl2N/c19-12-4-5-15(18(20)9-12)13-2-1-3-14-16(13)8-11-6-7-21-10-17(11)14/h1-5,9,11,17,21H,6-8,10H2/t11-,17-/m1/s1.
What are the key properties of (4aS,9bR)-6-(2,4-dichlorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-c]pyridine?
(4aS,9bR)-6-(2,4-dichlorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-c]pyridine has a molecular weight of 318.25 g/mol, XLogP of 4.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,9bR)-6-(2,4-dichlorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-c]pyridine is sourced from PubChem (CID 58827019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).