2-methyl-1-(oxan-4-yl)-3-phenylpyrrole

C16H19NO — CID 164681715

IUPAC2-methyl-1-(oxan-4-yl)-3-phenylpyrrole
SMILESCc1c(-c2ccccc2)ccn1C1CCOCC1
InChIInChI=1S/C16H19NO/c1-13-16(14-5-3-2-4-6-14)7-10-17(13)15-8-11-18-12-9-15/h2-7,10,15H,8-9,11-12H2,1H3
InChIKeyYXGNAMNUBDAALD-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.82
Rot. Bonds2

About 2-methyl-1-(oxan-4-yl)-3-phenylpyrrole

2-methyl-1-(oxan-4-yl)-3-phenylpyrrole (PubChem CID 164681715) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-methyl-1-(oxan-4-yl)-3-phenylpyrrole.

Molecular Properties

Compound Name2-methyl-1-(oxan-4-yl)-3-phenylpyrrole
PubChem CID164681715
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name2-methyl-1-(oxan-4-yl)-3-phenylpyrrole
SMILESCc1c(-c2ccccc2)ccn1C1CCOCC1
InChIInChI=1S/C16H19NO/c1-13-16(14-5-3-2-4-6-14)7-10-17(13)15-8-11-18-12-9-15/h2-7,10,15H,8-9,11-12H2,1H3
InChIKeyYXGNAMNUBDAALD-UHFFFAOYSA-N
XLogP3.82
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(oxan-4-yl)-3-phenylpyrrole?
The IUPAC name of 2-methyl-1-(oxan-4-yl)-3-phenylpyrrole (CID 164681715) is 2-methyl-1-(oxan-4-yl)-3-phenylpyrrole.
What is the SMILES notation for 2-methyl-1-(oxan-4-yl)-3-phenylpyrrole?
The canonical SMILES for 2-methyl-1-(oxan-4-yl)-3-phenylpyrrole is Cc1c(-c2ccccc2)ccn1C1CCOCC1.
What is the InChIKey of 2-methyl-1-(oxan-4-yl)-3-phenylpyrrole?
The InChIKey is YXGNAMNUBDAALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-13-16(14-5-3-2-4-6-14)7-10-17(13)15-8-11-18-12-9-15/h2-7,10,15H,8-9,11-12H2,1H3.
What are the key properties of 2-methyl-1-(oxan-4-yl)-3-phenylpyrrole?
2-methyl-1-(oxan-4-yl)-3-phenylpyrrole has a molecular weight of 241.33 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(oxan-4-yl)-3-phenylpyrrole is sourced from PubChem (CID 164681715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).