2-(2-methoxyphenyl)-4-methyl-5-propyl-3H-pyrrole

C15H19NO — CID 160799002

IUPAC2-(2-methoxyphenyl)-4-methyl-5-propyl-3H-pyrrole
SMILESCCCC1=C(C)CC(c2ccccc2OC)=N1
InChIInChI=1S/C15H19NO/c1-4-7-13-11(2)10-14(16-13)12-8-5-6-9-15(12)17-3/h5-6,8-9H,4,7,10H2,1-3H3
InChIKeySCUTUEWEAMRZGD-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.96
Rot. Bonds4

About 2-(2-methoxyphenyl)-4-methyl-5-propyl-3H-pyrrole

2-(2-methoxyphenyl)-4-methyl-5-propyl-3H-pyrrole (PubChem CID 160799002) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-4-methyl-5-propyl-3H-pyrrole.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-4-methyl-5-propyl-3H-pyrrole
PubChem CID160799002
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name2-(2-methoxyphenyl)-4-methyl-5-propyl-3H-pyrrole
SMILESCCCC1=C(C)CC(c2ccccc2OC)=N1
InChIInChI=1S/C15H19NO/c1-4-7-13-11(2)10-14(16-13)12-8-5-6-9-15(12)17-3/h5-6,8-9H,4,7,10H2,1-3H3
InChIKeySCUTUEWEAMRZGD-UHFFFAOYSA-N
XLogP3.96
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(5R)-3-(2-methoxyphenyl)-5-methyl-N-propyl-4H-1,2-oxazole-5-carboxamide
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4-methoxy-3-methyl-2-propylpyridine
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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-4-methyl-5-propyl-3H-pyrrole?
The IUPAC name of 2-(2-methoxyphenyl)-4-methyl-5-propyl-3H-pyrrole (CID 160799002) is 2-(2-methoxyphenyl)-4-methyl-5-propyl-3H-pyrrole.
What is the SMILES notation for 2-(2-methoxyphenyl)-4-methyl-5-propyl-3H-pyrrole?
The canonical SMILES for 2-(2-methoxyphenyl)-4-methyl-5-propyl-3H-pyrrole is CCCC1=C(C)CC(c2ccccc2OC)=N1.
What is the InChIKey of 2-(2-methoxyphenyl)-4-methyl-5-propyl-3H-pyrrole?
The InChIKey is SCUTUEWEAMRZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-4-7-13-11(2)10-14(16-13)12-8-5-6-9-15(12)17-3/h5-6,8-9H,4,7,10H2,1-3H3.
What are the key properties of 2-(2-methoxyphenyl)-4-methyl-5-propyl-3H-pyrrole?
2-(2-methoxyphenyl)-4-methyl-5-propyl-3H-pyrrole has a molecular weight of 229.32 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-4-methyl-5-propyl-3H-pyrrole is sourced from PubChem (CID 160799002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).