3-methyl-2-(3-propyl-1H-inden-2-yl)-1H-pyrrole

C17H19N — CID 173085144

IUPAC3-methyl-2-(3-propyl-1H-inden-2-yl)-1H-pyrrole
SMILESCCCC1=C(c2[nH]ccc2C)Cc2ccccc21
InChIInChI=1S/C17H19N/c1-3-6-15-14-8-5-4-7-13(14)11-16(15)17-12(2)9-10-18-17/h4-5,7-10,18H,3,6,11H2,1-2H3
InChIKeyASNCQDWVFYSKBE-UHFFFAOYSA-N
MW237.35 g/mol
LogP4.59
Rot. Bonds3

About 3-methyl-2-(3-propyl-1H-inden-2-yl)-1H-pyrrole

3-methyl-2-(3-propyl-1H-inden-2-yl)-1H-pyrrole (PubChem CID 173085144) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-methyl-2-(3-propyl-1H-inden-2-yl)-1H-pyrrole.

Molecular Properties

Compound Name3-methyl-2-(3-propyl-1H-inden-2-yl)-1H-pyrrole
PubChem CID173085144
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name3-methyl-2-(3-propyl-1H-inden-2-yl)-1H-pyrrole
SMILESCCCC1=C(c2[nH]ccc2C)Cc2ccccc21
InChIInChI=1S/C17H19N/c1-3-6-15-14-8-5-4-7-13(14)11-16(15)17-12(2)9-10-18-17/h4-5,7-10,18H,3,6,11H2,1-2H3
InChIKeyASNCQDWVFYSKBE-UHFFFAOYSA-N
XLogP4.59
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

3-propyl-2-(2-propylphenyl)-1H-indene
CID 173084830
3,4-dimethyl-2-(3-propyl-1H-inden-2-yl)thiophene
CID 173084225
3-methyl-2-(3-propyl-1H-inden-2-yl)furan
CID 173084813
3-butyl-2-(2,3,4-trimethylphenyl)-1H-indene
CID 173084970
3-ethyl-2-(2,3,4-trimethylphenyl)-1H-indene
CID 173085149
2-(4-methylphenyl)-3-octyl-1H-indene
CID 21095685
1-(3-pentyl-1H-inden-2-yl)naphthalene
CID 173084421
3-methyl-2-(2-propylphenyl)-1H-indene
CID 173085124
3-butyl-2-methyl-1H-indene
CID 15422807
3-methyl-2-(2-pentylphenyl)-1H-pyrrole
CID 173177281
3-butyl-2-propyl-1H-indene
CID 141343467
2-(3-methyl-1H-inden-2-yl)-3-propylthiophene
CID 173084535

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3-propyl-1H-inden-2-yl)-1H-pyrrole?
The IUPAC name of 3-methyl-2-(3-propyl-1H-inden-2-yl)-1H-pyrrole (CID 173085144) is 3-methyl-2-(3-propyl-1H-inden-2-yl)-1H-pyrrole.
What is the SMILES notation for 3-methyl-2-(3-propyl-1H-inden-2-yl)-1H-pyrrole?
The canonical SMILES for 3-methyl-2-(3-propyl-1H-inden-2-yl)-1H-pyrrole is CCCC1=C(c2[nH]ccc2C)Cc2ccccc21.
What is the InChIKey of 3-methyl-2-(3-propyl-1H-inden-2-yl)-1H-pyrrole?
The InChIKey is ASNCQDWVFYSKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-3-6-15-14-8-5-4-7-13(14)11-16(15)17-12(2)9-10-18-17/h4-5,7-10,18H,3,6,11H2,1-2H3.
What are the key properties of 3-methyl-2-(3-propyl-1H-inden-2-yl)-1H-pyrrole?
3-methyl-2-(3-propyl-1H-inden-2-yl)-1H-pyrrole has a molecular weight of 237.35 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3-propyl-1H-inden-2-yl)-1H-pyrrole is sourced from PubChem (CID 173085144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).