1-methyl-8aH-cyclohepta[b]pyrrole

C10H11N — CID 90814916

IUPAC1-methyl-8aH-cyclohepta[b]pyrrole
SMILESCN1C=CC2=CC=CC=CC21
InChIInChI=1S/C10H11N/c1-11-8-7-9-5-3-2-4-6-10(9)11/h2-8,10H,1H3
InChIKeyXYEXTCQBCLHBRU-UHFFFAOYSA-N
MW145.20 g/mol
LogP1.87
Rot. Bonds

About 1-methyl-8aH-cyclohepta[b]pyrrole

1-methyl-8aH-cyclohepta[b]pyrrole (PubChem CID 90814916) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 1-methyl-8aH-cyclohepta[b]pyrrole.

Molecular Properties

Compound Name1-methyl-8aH-cyclohepta[b]pyrrole
PubChem CID90814916
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name1-methyl-8aH-cyclohepta[b]pyrrole
SMILESCN1C=CC2=CC=CC=CC21
InChIInChI=1S/C10H11N/c1-11-8-7-9-5-3-2-4-6-10(9)11/h2-8,10H,1H3
InChIKeyXYEXTCQBCLHBRU-UHFFFAOYSA-N
XLogP1.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 92529178
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-8aH-cyclohepta[b]pyrrole?
The IUPAC name of 1-methyl-8aH-cyclohepta[b]pyrrole (CID 90814916) is 1-methyl-8aH-cyclohepta[b]pyrrole.
What is the SMILES notation for 1-methyl-8aH-cyclohepta[b]pyrrole?
The canonical SMILES for 1-methyl-8aH-cyclohepta[b]pyrrole is CN1C=CC2=CC=CC=CC21.
What is the InChIKey of 1-methyl-8aH-cyclohepta[b]pyrrole?
The InChIKey is XYEXTCQBCLHBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-11-8-7-9-5-3-2-4-6-10(9)11/h2-8,10H,1H3.
What are the key properties of 1-methyl-8aH-cyclohepta[b]pyrrole?
1-methyl-8aH-cyclohepta[b]pyrrole has a molecular weight of 145.20 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8aH-cyclohepta[b]pyrrole is sourced from PubChem (CID 90814916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).