5-methyl-1H-indeno[2,1-b]indole

C16H13N — CID 173141591

IUPAC5-methyl-1H-indeno[2,1-b]indole
SMILESCn1c2c(c3c1=Cc1ccccc1-3)CC=CC=2
InChIInChI=1S/C16H13N/c1-17-14-9-5-4-8-13(14)16-12-7-3-2-6-11(12)10-15(16)17/h2-7,9-10H,8H2,1H3
InChIKeyUXBDYUBXZUQMQI-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.73
Rot. Bonds

About 5-methyl-1H-indeno[2,1-b]indole

5-methyl-1H-indeno[2,1-b]indole (PubChem CID 173141591) has the molecular formula C16H13N and a molecular weight of 219.29 g/mol. Its IUPAC name is 5-methyl-1H-indeno[2,1-b]indole.

Molecular Properties

Compound Name5-methyl-1H-indeno[2,1-b]indole
PubChem CID173141591
Molecular FormulaC16H13N
Molecular Weight219.29 g/mol
Exact Mass219.10
IUPAC Name5-methyl-1H-indeno[2,1-b]indole
SMILESCn1c2c(c3c1=Cc1ccccc1-3)CC=CC=2
InChIInChI=1S/C16H13N/c1-17-14-9-5-4-8-13(14)16-12-7-3-2-6-11(12)10-15(16)17/h2-7,9-10H,8H2,1H3
InChIKeyUXBDYUBXZUQMQI-UHFFFAOYSA-N
XLogP1.73
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1H-indeno[2,1-b]indole?
The IUPAC name of 5-methyl-1H-indeno[2,1-b]indole (CID 173141591) is 5-methyl-1H-indeno[2,1-b]indole.
What is the SMILES notation for 5-methyl-1H-indeno[2,1-b]indole?
The canonical SMILES for 5-methyl-1H-indeno[2,1-b]indole is Cn1c2c(c3c1=Cc1ccccc1-3)CC=CC=2.
What is the InChIKey of 5-methyl-1H-indeno[2,1-b]indole?
The InChIKey is UXBDYUBXZUQMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N/c1-17-14-9-5-4-8-13(14)16-12-7-3-2-6-11(12)10-15(16)17/h2-7,9-10H,8H2,1H3.
What are the key properties of 5-methyl-1H-indeno[2,1-b]indole?
5-methyl-1H-indeno[2,1-b]indole has a molecular weight of 219.29 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1H-indeno[2,1-b]indole is sourced from PubChem (CID 173141591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).