1-butyl-2-methyl-3-phenylpyrrole

C15H19N — CID 10560554

IUPAC1-butyl-2-methyl-3-phenylpyrrole
SMILESCCCCn1ccc(-c2ccccc2)c1C
InChIInChI=1S/C15H19N/c1-3-4-11-16-12-10-15(13(16)2)14-8-6-5-7-9-14/h5-10,12H,3-4,11H2,1-2H3
InChIKeyVARHHWVBVLXRKM-UHFFFAOYSA-N
MW213.32 g/mol
LogP4.26
Rot. Bonds4

About 1-butyl-2-methyl-3-phenylpyrrole

1-butyl-2-methyl-3-phenylpyrrole (PubChem CID 10560554) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-butyl-2-methyl-3-phenylpyrrole.

Molecular Properties

Compound Name1-butyl-2-methyl-3-phenylpyrrole
PubChem CID10560554
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name1-butyl-2-methyl-3-phenylpyrrole
SMILESCCCCn1ccc(-c2ccccc2)c1C
InChIInChI=1S/C15H19N/c1-3-4-11-16-12-10-15(13(16)2)14-8-6-5-7-9-14/h5-10,12H,3-4,11H2,1-2H3
InChIKeyVARHHWVBVLXRKM-UHFFFAOYSA-N
XLogP4.26
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-methyl-3-phenylpyrrole?
The IUPAC name of 1-butyl-2-methyl-3-phenylpyrrole (CID 10560554) is 1-butyl-2-methyl-3-phenylpyrrole.
What is the SMILES notation for 1-butyl-2-methyl-3-phenylpyrrole?
The canonical SMILES for 1-butyl-2-methyl-3-phenylpyrrole is CCCCn1ccc(-c2ccccc2)c1C.
What is the InChIKey of 1-butyl-2-methyl-3-phenylpyrrole?
The InChIKey is VARHHWVBVLXRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-3-4-11-16-12-10-15(13(16)2)14-8-6-5-7-9-14/h5-10,12H,3-4,11H2,1-2H3.
What are the key properties of 1-butyl-2-methyl-3-phenylpyrrole?
1-butyl-2-methyl-3-phenylpyrrole has a molecular weight of 213.32 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-methyl-3-phenylpyrrole is sourced from PubChem (CID 10560554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).