3,4,6,7-tetramethyl-9H-indeno[2,1-b]pyridine

C16H17N — CID 157207136

IUPAC3,4,6,7-tetramethyl-9H-indeno[2,1-b]pyridine
SMILESCc1cc2c(cc1C)-c1c(ncc(C)c1C)C2
InChIInChI=1S/C16H17N/c1-9-5-13-7-15-16(14(13)6-10(9)2)12(4)11(3)8-17-15/h5-6,8H,7H2,1-4H3
InChIKeyIPZUGGUUJWAFAR-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.89
Rot. Bonds

About 3,4,6,7-tetramethyl-9H-indeno[2,1-b]pyridine

3,4,6,7-tetramethyl-9H-indeno[2,1-b]pyridine (PubChem CID 157207136) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 3,4,6,7-tetramethyl-9H-indeno[2,1-b]pyridine.

Molecular Properties

Compound Name3,4,6,7-tetramethyl-9H-indeno[2,1-b]pyridine
PubChem CID157207136
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name3,4,6,7-tetramethyl-9H-indeno[2,1-b]pyridine
SMILESCc1cc2c(cc1C)-c1c(ncc(C)c1C)C2
InChIInChI=1S/C16H17N/c1-9-5-13-7-15-16(14(13)6-10(9)2)12(4)11(3)8-17-15/h5-6,8H,7H2,1-4H3
InChIKeyIPZUGGUUJWAFAR-UHFFFAOYSA-N
XLogP3.89
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4,6,7-tetramethyl-9H-indeno[2,1-b]pyridine?
The IUPAC name of 3,4,6,7-tetramethyl-9H-indeno[2,1-b]pyridine (CID 157207136) is 3,4,6,7-tetramethyl-9H-indeno[2,1-b]pyridine.
What is the SMILES notation for 3,4,6,7-tetramethyl-9H-indeno[2,1-b]pyridine?
The canonical SMILES for 3,4,6,7-tetramethyl-9H-indeno[2,1-b]pyridine is Cc1cc2c(cc1C)-c1c(ncc(C)c1C)C2.
What is the InChIKey of 3,4,6,7-tetramethyl-9H-indeno[2,1-b]pyridine?
The InChIKey is IPZUGGUUJWAFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-9-5-13-7-15-16(14(13)6-10(9)2)12(4)11(3)8-17-15/h5-6,8H,7H2,1-4H3.
What are the key properties of 3,4,6,7-tetramethyl-9H-indeno[2,1-b]pyridine?
3,4,6,7-tetramethyl-9H-indeno[2,1-b]pyridine has a molecular weight of 223.32 g/mol, XLogP of 3.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,7-tetramethyl-9H-indeno[2,1-b]pyridine is sourced from PubChem (CID 157207136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).