1-bromo-3-methyl-8H-indeno[2,1-b]pyrrole

C12H10BrN — CID 87460967

IUPAC1-bromo-3-methyl-8H-indeno[2,1-b]pyrrole
SMILESCn1cc(Br)c2c1=CC1=CC=CCC=21
InChIInChI=1S/C12H10BrN/c1-14-7-10(13)12-9-5-3-2-4-8(9)6-11(12)14/h2-4,6-7H,5H2,1H3
InChIKeyXTZKKSNPTGYQNO-UHFFFAOYSA-N
MW248.12 g/mol
LogP1.62
Rot. Bonds

About 1-bromo-3-methyl-8H-indeno[2,1-b]pyrrole

1-bromo-3-methyl-8H-indeno[2,1-b]pyrrole (PubChem CID 87460967) has the molecular formula C12H10BrN and a molecular weight of 248.12 g/mol. Its IUPAC name is 1-bromo-3-methyl-8H-indeno[2,1-b]pyrrole.

Molecular Properties

Compound Name1-bromo-3-methyl-8H-indeno[2,1-b]pyrrole
PubChem CID87460967
Molecular FormulaC12H10BrN
Molecular Weight248.12 g/mol
Exact Mass247.00
IUPAC Name1-bromo-3-methyl-8H-indeno[2,1-b]pyrrole
SMILESCn1cc(Br)c2c1=CC1=CC=CCC=21
InChIInChI=1S/C12H10BrN/c1-14-7-10(13)12-9-5-3-2-4-8(9)6-11(12)14/h2-4,6-7H,5H2,1H3
InChIKeyXTZKKSNPTGYQNO-UHFFFAOYSA-N
XLogP1.62
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.12
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-methyl-8H-indeno[2,1-b]pyrrole?
The IUPAC name of 1-bromo-3-methyl-8H-indeno[2,1-b]pyrrole (CID 87460967) is 1-bromo-3-methyl-8H-indeno[2,1-b]pyrrole.
What is the SMILES notation for 1-bromo-3-methyl-8H-indeno[2,1-b]pyrrole?
The canonical SMILES for 1-bromo-3-methyl-8H-indeno[2,1-b]pyrrole is Cn1cc(Br)c2c1=CC1=CC=CCC=21.
What is the InChIKey of 1-bromo-3-methyl-8H-indeno[2,1-b]pyrrole?
The InChIKey is XTZKKSNPTGYQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN/c1-14-7-10(13)12-9-5-3-2-4-8(9)6-11(12)14/h2-4,6-7H,5H2,1H3.
What are the key properties of 1-bromo-3-methyl-8H-indeno[2,1-b]pyrrole?
1-bromo-3-methyl-8H-indeno[2,1-b]pyrrole has a molecular weight of 248.12 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-methyl-8H-indeno[2,1-b]pyrrole is sourced from PubChem (CID 87460967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).