8-chloro-1-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine

C16H20ClN — CID 157425146

IUPAC8-chloro-1-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine
SMILESCC(C)CC1NCCC2=C1Cc1c(Cl)cccc12
InChIInChI=1S/C16H20ClN/c1-10(2)8-16-14-9-13-11(4-3-5-15(13)17)12(14)6-7-18-16/h3-5,10,16,18H,6-9H2,1-2H3
InChIKeyTUZBYCXTNZPKAO-UHFFFAOYSA-N
MW261.80 g/mol
LogP4.06
Rot. Bonds2

About 8-chloro-1-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine

8-chloro-1-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine (PubChem CID 157425146) has the molecular formula C16H20ClN and a molecular weight of 261.80 g/mol. Its IUPAC name is 8-chloro-1-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine.

Molecular Properties

Compound Name8-chloro-1-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine
PubChem CID157425146
Molecular FormulaC16H20ClN
Molecular Weight261.80 g/mol
Exact Mass261.13
IUPAC Name8-chloro-1-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine
SMILESCC(C)CC1NCCC2=C1Cc1c(Cl)cccc12
InChIInChI=1S/C16H20ClN/c1-10(2)8-16-14-9-13-11(4-3-5-15(13)17)12(14)6-7-18-16/h3-5,10,16,18H,6-9H2,1-2H3
InChIKeyTUZBYCXTNZPKAO-UHFFFAOYSA-N
XLogP4.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.80
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine?
The IUPAC name of 8-chloro-1-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine (CID 157425146) is 8-chloro-1-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine.
What is the SMILES notation for 8-chloro-1-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine?
The canonical SMILES for 8-chloro-1-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine is CC(C)CC1NCCC2=C1Cc1c(Cl)cccc12.
What is the InChIKey of 8-chloro-1-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine?
The InChIKey is TUZBYCXTNZPKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN/c1-10(2)8-16-14-9-13-11(4-3-5-15(13)17)12(14)6-7-18-16/h3-5,10,16,18H,6-9H2,1-2H3.
What are the key properties of 8-chloro-1-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine?
8-chloro-1-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine has a molecular weight of 261.80 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine is sourced from PubChem (CID 157425146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).